CID 16429263

Methyl 2-[3-(3-fluoro-4-methylbenzoyl)-4-hydroxy-5-oxo-2-(3-phenoxyphenyl)-2,5-dihydro-1h-pyrrol-1-yl]-4-methyl-1,3-thiazole-5-carboxylate

Structural Information

Molecular Formula
C30H23FN2O6S
SMILES
CC1=C(C=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OC)C)C4=CC(=CC=C4)OC5=CC=CC=C5)/O)F
InChI
InChI=1S/C30H23FN2O6S/c1-16-12-13-19(15-22(16)31)25(34)23-24(18-8-7-11-21(14-18)39-20-9-5-4-6-10-20)33(28(36)26(23)35)30-32-17(2)27(40-30)29(37)38-3/h4-15,24,34H,1-3H3/b25-23-
InChIKey
RQQSPMONSCHTIJ-BZZOAKBMSA-N
Compound name
methyl 2-[(4Z)-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-2,3-dioxo-5-(3-phenoxyphenyl)pyrrolidin-1-yl]-4-methyl-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

558.1261 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 559.13338 236.1
[M+Na]+ 581.11532 248.3
[M+NH4]+ 576.15992 239.3
[M+K]+ 597.08926 244.0
[M-H]- 557.11882 240.7
[M+Na-2H]- 579.10077 241.8
[M]+ 558.12555 239.3
[M]- 558.12665 239.3
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.