PubChemLite - 614748-14-0 (C26H22N2O4)

Structural Information

Molecular Formula

SMILES

C=CCOC1=CC=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=CC=C4)/O

InChI

InChI=1S/C26H22N2O4/c1-2-15-32-21-12-10-20(11-13-21)24(29)22-23(19-8-4-3-5-9-19)28(26(31)25(22)30)17-18-7-6-14-27-16-18/h2-14,16,23,29H,1,15,17H2/b24-22+

InChIKey

XGUWREFFNAVGKZ-ZNTNEXAZSA-N

Compound name

(4E)-4-[hydroxy-(4-prop-2-enoxyphenyl)methylidene]-5-phenyl-1-(pyridin-3-ylmethyl)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]+	427.16524	203.9
[M+Na]+	449.14718	209.7
[M-H]-	425.15068	212.5
[M+NH4]+	444.19178	211.0
[M+K]+	465.12112	202.3
[M+H-H2O]+	409.15522	192.3
[M+HCOO]-	471.15616	220.7
[M+CH3COO]-	485.17181	224.8
[M+Na-2H]-	447.13263	200.4
[M]+	426.15741	202.7
[M]-	426.15851	202.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

427.16524

203.9

[M+Na]+

449.14718

209.7

[M-H]-

425.15068

212.5

[M+NH4]+

444.19178

211.0

[M+K]+

465.12112

202.3

[M+H-H2O]+

409.15522

192.3

[M+HCOO]-

471.15616

220.7

[M+CH3COO]-

485.17181

224.8

[M+Na-2H]-

447.13263

200.4

[M]+

426.15741

202.7

[M]-

426.15851

202.7

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

614748-14-0

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe