CID 2735512

109812-64-8

Structural Information

Molecular Formula
C18H15NO2
SMILES
CC1=C(C=C(N1C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C18H15NO2/c1-13-16(18(20)21)12-17(14-8-4-2-5-9-14)19(13)15-10-6-3-7-11-15/h2-12H,1H3,(H,20,21)
InChIKey
DWIYTBRYOQDHTE-UHFFFAOYSA-N
Compound name
2-methyl-1,5-diphenylpyrrole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
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 163.5
[M+Na]+ 300.09952 171.8
[M-H]- 276.10302 171.4
[M+NH4]+ 295.14412 179.1
[M+K]+ 316.07346 166.5
[M+H-H2O]+ 260.10756 155.1
[M+HCOO]- 322.10850 185.5
[M+CH3COO]- 336.12415 175.6
[M+Na-2H]- 298.08497 165.4
[M]+ 277.10975 163.5
[M]- 277.11085 163.5
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