CID 5893200

618073-94-2

Structural Information

Molecular Formula
C24H19FN2O3
SMILES
CC1=C(C=C(C=C1)/C(=C\2/C(N(C(=O)C2=O)CC3=CN=CC=C3)C4=CC=CC=C4)/O)F
InChI
InChI=1S/C24H19FN2O3/c1-15-9-10-18(12-19(15)25)22(28)20-21(17-7-3-2-4-8-17)27(24(30)23(20)29)14-16-6-5-11-26-13-16/h2-13,21,28H,14H2,1H3/b22-20+
InChIKey
UAZKSROEBBVFQA-LSDHQDQOSA-N
Compound name
(4E)-4-[(3-fluoro-4-methylphenyl)-hydroxymethylidene]-5-phenyl-1-(pyridin-3-ylmethyl)pyrrolidine-2,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.13797 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.14525 196.8
[M+Na]+ 425.12719 204.5
[M-H]- 401.13069 204.8
[M+NH4]+ 420.17179 205.4
[M+K]+ 441.10113 196.8
[M+H-H2O]+ 385.13523 185.0
[M+HCOO]- 447.13617 212.9
[M+CH3COO]- 461.15182 205.4
[M+Na-2H]- 423.11264 192.9
[M]+ 402.13742 193.9
[M]- 402.13852 193.9
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.