PubChemLite - 618080-86-7 (C30H40N2O6)

Structural Information

Molecular Formula

SMILES

CCCCCOC1=CC=C(C=C1)C2/C(=C(/C3=CC(=C(C=C3)OC)OC)\O)/C(=O)C(=O)N2CCN(CC)CC

InChI

InChI=1S/C30H40N2O6/c1-6-9-10-19-38-23-14-11-21(12-15-23)27-26(28(33)22-13-16-24(36-4)25(20-22)37-5)29(34)30(35)32(27)18-17-31(7-2)8-3/h11-16,20,27,33H,6-10,17-19H2,1-5H3/b28-26+

InChIKey

QCJHGANETNIIMX-BYCLXTJYSA-N

Compound name

(4E)-1-[2-(diethylamino)ethyl]-4-[(3,4-dimethoxyphenyl)-hydroxymethylidene]-5-(4-pentoxyphenyl)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]+	525.29592	230.6
[M+Na]+	547.27786	233.5
[M-H]-	523.28136	238.2
[M+NH4]+	542.32246	236.4
[M+K]+	563.25180	229.9
[M+H-H2O]+	507.28590	219.9
[M+HCOO]-	569.28684	247.8
[M+CH3COO]-	583.30249	253.3
[M+Na-2H]-	545.26331	222.4
[M]+	524.28809	238.0
[M]-	524.28919	238.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

525.29592

230.6

[M+Na]+

547.27786

233.5

[M-H]-

523.28136

238.2

[M+NH4]+

542.32246

236.4

[M+K]+

563.25180

229.9

[M+H-H2O]+

507.28590

219.9

[M+HCOO]-

569.28684

247.8

[M+CH3COO]-

583.30249

253.3

[M+Na-2H]-

545.26331

222.4

[M]+

524.28809

238.0

[M]-

524.28919

238.0

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

618080-86-7

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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