CID 213321

26165-57-1

Structural Information

Molecular Formula
C19H17NO2
SMILES
CC1=C(C=C(C=C1)C(=O)O)N2C(=CC=C2C3=CC=CC=C3)C
InChI
InChI=1S/C19H17NO2/c1-13-8-10-16(19(21)22)12-18(13)20-14(2)9-11-17(20)15-6-4-3-5-7-15/h3-12H,1-2H3,(H,21,22)
InChIKey
OIGYXRNIUFONEU-UHFFFAOYSA-N
Compound name
4-methyl-3-(2-methyl-5-phenylpyrrol-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

291.12592 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.13320 169.5
[M+Na]+ 314.11514 184.8
[M+NH4]+ 309.15974 177.5
[M+K]+ 330.08908 178.9
[M-H]- 290.11864 174.9
[M+Na-2H]- 312.10059 178.8
[M]+ 291.12537 173.3
[M]- 291.12647 173.3
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.