CID 5919198

500276-74-4

Structural Information

Molecular Formula
C32H28N2O6S
SMILES
CCOC(=O)C1=C(N=C(S1)N2C(/C(=C(/C3=C(C=C(C=C3)OCC4=CC=CC=C4)C)\O)/C(=O)C2=O)C5=CC=CC=C5)C
InChI
InChI=1S/C32H28N2O6S/c1-4-39-31(38)29-20(3)33-32(41-29)34-26(22-13-9-6-10-14-22)25(28(36)30(34)37)27(35)24-16-15-23(17-19(24)2)40-18-21-11-7-5-8-12-21/h5-17,26,35H,4,18H2,1-3H3/b27-25+
InChIKey
HUZMCFJHUIYIAF-IMVLJIQESA-N
Compound name
ethyl 2-[(4E)-4-[hydroxy-(2-methyl-4-phenylmethoxyphenyl)methylidene]-2,3-dioxo-5-phenylpyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

568.1668 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 569.17408 237.6
[M+Na]+ 591.15602 243.3
[M-H]- 567.15952 250.7
[M+NH4]+ 586.20062 241.6
[M+K]+ 607.12996 237.5
[M+H-H2O]+ 551.16406 228.0
[M+HCOO]- 613.16500 249.3
[M+CH3COO]- 627.18065 249.7
[M+Na-2H]- 589.14147 227.1
[M]+ 568.16625 242.9
[M]- 568.16735 242.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.