CID 8899719

1-methyl-2-phenyl-1h-indole-3-carboxylic acid

Structural Information

Molecular Formula
C16H13NO2
SMILES
CN1C2=CC=CC=C2C(=C1C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C16H13NO2/c1-17-13-10-6-5-9-12(13)14(16(18)19)15(17)11-7-3-2-4-8-11/h2-10H,1H3,(H,18,19)
InChIKey
RELJLFYAYAGHEF-UHFFFAOYSA-N
Compound name
1-methyl-2-phenylindole-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

251.09464 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.101916 155.3
[M+Na]+ 274.083858 165.6
[M-H]- 250.087364 161.5
[M+NH4]+ 269.128463 173.5
[M+K]+ 290.057798 160.5
[M+H-H2O]+ 234.091900 148.1
[M+HCOO]- 296.092841 177.8
[M+CH3COO]- 310.108491 168.5
[M+Na-2H]- 272.069306 159.9
[M]+ 251.09409142 157.5
[M]- 251.09518858 157.5
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