PubChemLite - 510712-18-2 (C24H29N3O4)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)CCN(C)C)C3=CN=CC=C3)/O)OC(C)C

InChI

InChI=1S/C24H29N3O4/c1-15(2)31-19-9-8-17(13-16(19)3)22(28)20-21(18-7-6-10-25-14-18)27(12-11-26(4)5)24(30)23(20)29/h6-10,13-15,21,28H,11-12H2,1-5H3/b22-20+

InChIKey

ZCIFKEFQRGHGCM-LSDHQDQOSA-N

Compound name

(4E)-1-[2-(dimethylamino)ethyl]-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-5-pyridin-3-ylpyrrolidine-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]+	424.22310	203.3
[M+Na]+	446.20504	208.4
[M-H]-	422.20854	210.6
[M+NH4]+	441.24964	211.9
[M+K]+	462.17898	204.6
[M+H-H2O]+	406.21308	193.3
[M+HCOO]-	468.21402	220.1
[M+CH3COO]-	482.22967	233.9
[M+Na-2H]-	444.19049	197.3
[M]+	423.21527	205.5
[M]-	423.21637	205.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

424.22310

203.3

[M+Na]+

446.20504

208.4

[M-H]-

422.20854

210.6

[M+NH4]+

441.24964

211.9

[M+K]+

462.17898

204.6

[M+H-H2O]+

406.21308

193.3

[M+HCOO]-

468.21402

220.1

[M+CH3COO]-

482.22967

233.9

[M+Na-2H]-

444.19049

197.3

[M]+

423.21527

205.5

[M]-

423.21637

205.5

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

510712-18-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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