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]+ 354.14885 187.3
[M+Na]+ 376.13079 204.5
[M+NH4]+ 371.17539 195.7
[M+K]+ 392.10473 196.9
[M-H]- 352.13429 195.4
[M+Na-2H]- 374.11624 199.3
[M]+ 353.14102 192.3
[M]- 353.14212 192.3
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.