1-(2-(diethylamino)ethyl)-5-(2,5-dimethoxyphenyl)-3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-1h-pyrrol-2(5h)-one (C27H34N2O6)

Structural Information

Molecular Formula

SMILES

CCN(CC)CCN1C(/C(=C(/C2=C(C=C(C=C2)OC)C)\O)/C(=O)C1=O)C3=C(C=CC(=C3)OC)OC

InChI

InChI=1S/C27H34N2O6/c1-7-28(8-2)13-14-29-24(21-16-19(34-5)10-12-22(21)35-6)23(26(31)27(29)32)25(30)20-11-9-18(33-4)15-17(20)3/h9-12,15-16,24,30H,7-8,13-14H2,1-6H3/b25-23+

InChIKey

VMMFPXSEMBLQHA-WJTDDFOZSA-N

Compound name

(4E)-1-[2-(diethylamino)ethyl]-5-(2,5-dimethoxyphenyl)-4-[hydroxy-(4-methoxy-2-methylphenyl)methylidene]pyrrolidine-2,3-dione

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	483.248976	217.2
[M+Na]+	505.230918	222.4
[M-H]-	481.234424	225.8
[M+NH4]+	500.275523	225.1
[M+K]+	521.204858	219.5
[M+H-H2O]+	465.238960	207.4
[M+HCOO]-	527.239901	235.4
[M+CH3COO]-	541.255551	246.2
[M+Na-2H]-	503.216366	209.9
[M]+	482.24115142	224.1
[M]-	482.24224858	224.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

483.248976

217.2

[M+Na]+

505.230918

222.4

[M-H]-

481.234424

225.8

[M+NH4]+

500.275523

225.1

[M+K]+

521.204858

219.5

[M+H-H2O]+

465.238960

207.4

[M+HCOO]-

527.239901

235.4

[M+CH3COO]-

541.255551

246.2

[M+Na-2H]-

503.216366

209.9

[M]+

482.24115142

224.1

[M]-

482.24224858

224.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

1-(2-(diethylamino)ethyl)-5-(2,5-dimethoxyphenyl)-3-hydroxy-4-(4-methoxy-2-methylbenzoyl)-1h-pyrrol-2(5h)-one

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe