CID 3073462

148930-17-0

Structural Information

Molecular Formula
C24H19FN2O3
SMILES
C1=CC=C(C=C1)NC2=C(C(N(C2=O)C3=CC=CC=C3)C4=CC=C(C=C4)F)CC(=O)O
InChI
InChI=1S/C24H19FN2O3/c25-17-13-11-16(12-14-17)23-20(15-21(28)29)22(26-18-7-3-1-4-8-18)24(30)27(23)19-9-5-2-6-10-19/h1-14,23,26H,15H2,(H,28,29)
InChIKey
VIDJILWPKQHREE-UHFFFAOYSA-N
Compound name
2-[4-anilino-2-(4-fluorophenyl)-5-oxo-1-phenyl-2H-pyrrol-3-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

402.13797 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.14525 194.9
[M+Na]+ 425.12719 201.4
[M-H]- 401.13069 204.2
[M+NH4]+ 420.17179 204.3
[M+K]+ 441.10113 194.5
[M+H-H2O]+ 385.13523 183.4
[M+HCOO]- 447.13617 214.6
[M+CH3COO]- 461.15182 203.9
[M+Na-2H]- 423.11264 193.5
[M]+ 402.13742 192.6
[M]- 402.13852 192.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.