CID 213328

26180-27-8

Structural Information

Molecular Formula
C18H15NO2
SMILES
CC1=CC=C(N1C2=CC=CC=C2C(=O)O)C3=CC=CC=C3
InChI
InChI=1S/C18H15NO2/c1-13-11-12-16(14-7-3-2-4-8-14)19(13)17-10-6-5-9-15(17)18(20)21/h2-12H,1H3,(H,20,21)
InChIKey
HDBAHTOZGLYRSE-UHFFFAOYSA-N
Compound name
2-(2-methyl-5-phenylpyrrol-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

277.1103 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.11758 165.1
[M+Na]+ 300.09952 180.3
[M+NH4]+ 295.14412 173.3
[M+K]+ 316.07346 174.4
[M-H]- 276.10302 170.4
[M+Na-2H]- 298.08497 174.9
[M]+ 277.10975 168.9
[M]- 277.11085 168.9
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

patents stripe