CID 16429473

4-(3-fluoro-4-methylbenzoyl)-3-hydroxy-5-(4-isopropylphenyl)-1-(3-pyridinylmethyl)-1,5-dihydro-2h-pyrrol-2-one

Structural Information

Molecular Formula
C27H25FN2O3
SMILES
CC1=C(C=C(C=C1)/C(=C/2\C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=C(C=C4)C(C)C)/O)F
InChI
InChI=1S/C27H25FN2O3/c1-16(2)19-8-10-20(11-9-19)24-23(25(31)21-7-6-17(3)22(28)13-21)26(32)27(33)30(24)15-18-5-4-12-29-14-18/h4-14,16,24,31H,15H2,1-3H3/b25-23-
InChIKey
VHBXQWRCWANHLE-BZZOAKBMSA-N
Compound name
(4Z)-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-5-(4-propan-2-ylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

444.1849 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 445.19218 209.0
[M+Na]+ 467.17412 215.9
[M-H]- 443.17762 217.1
[M+NH4]+ 462.21872 216.1
[M+K]+ 483.14806 208.4
[M+H-H2O]+ 427.18216 197.3
[M+HCOO]- 489.18310 223.1
[M+CH3COO]- 503.19875 232.2
[M+Na-2H]- 465.15957 202.0
[M]+ 444.18435 207.0
[M]- 444.18545 207.0
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.