CID 24835078

91306-96-6

Structural Information

Molecular Formula
C24H19NO2
SMILES
CC1=CC=C(N1C2=CC=CC(=C2)C(=O)O)C3=CC=C(C=C3)C4=CC=CC=C4
InChI
InChI=1S/C24H19NO2/c1-17-10-15-23(25(17)22-9-5-8-21(16-22)24(26)27)20-13-11-19(12-14-20)18-6-3-2-4-7-18/h2-16H,1H3,(H,26,27)
InChIKey
OTMGSPXROLQQBM-UHFFFAOYSA-N
Compound name
3-[2-methyl-5-(4-phenylphenyl)pyrrol-1-yl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.14157 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.148846 185.4
[M+Na]+ 376.130788 193.0
[M-H]- 352.134294 196.2
[M+NH4]+ 371.175393 197.3
[M+K]+ 392.104728 186.1
[M+H-H2O]+ 336.138830 175.3
[M+HCOO]- 398.139771 206.3
[M+CH3COO]- 412.155421 195.9
[M+Na-2H]- 374.116236 185.5
[M]+ 353.14102142 185.0
[M]- 353.14211858 185.0
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.