PubChemLite - 371140-52-2 (C30H38N2O7)

Structural Information

Molecular Formula

SMILES

CC1=C(C=CC(=C1)/C(=C\2/C(N(C(=O)C2=O)CCCN3CCOCC3)C4=C(C(=CC=C4)OC)OC)/O)OC(C)C

InChI

InChI=1S/C30H38N2O7/c1-19(2)39-23-11-10-21(18-20(23)3)27(33)25-26(22-8-6-9-24(36-4)29(22)37-5)32(30(35)28(25)34)13-7-12-31-14-16-38-17-15-31/h6,8-11,18-19,26,33H,7,12-17H2,1-5H3/b27-25+

InChIKey

PYHNSVXIXOXALL-IMVLJIQESA-N

Compound name

(4E)-5-(2,3-dimethoxyphenyl)-4-[hydroxy-(3-methyl-4-propan-2-yloxyphenyl)methylidene]-1-(3-morpholin-4-ylpropyl)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]+	539.27518	232.0
[M+Na]+	561.25712	234.4
[M-H]-	537.26062	240.6
[M+NH4]+	556.30172	233.5
[M+K]+	577.23106	231.7
[M+H-H2O]+	521.26516	220.8
[M+HCOO]-	583.26610	241.4
[M+CH3COO]-	597.28175	250.3
[M+Na-2H]-	559.24257	222.1
[M]+	538.26735	234.4
[M]-	538.26845	234.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

539.27518

232.0

[M+Na]+

561.25712

234.4

[M-H]-

537.26062

240.6

[M+NH4]+

556.30172

233.5

[M+K]+

577.23106

231.7

[M+H-H2O]+

521.26516

220.8

[M+HCOO]-

583.26610

241.4

[M+CH3COO]-

597.28175

250.3

[M+Na-2H]-

559.24257

222.1

[M]+

538.26735

234.4

[M]-

538.26845

234.4

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

371140-52-2

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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