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

9
Patents

251.09464 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10192 155.3
[M+Na]+ 274.08386 165.6
[M-H]- 250.08736 161.5
[M+NH4]+ 269.12846 173.5
[M+K]+ 290.05780 160.5
[M+H-H2O]+ 234.09190 148.1
[M+HCOO]- 296.09284 177.8
[M+CH3COO]- 310.10849 168.5
[M+Na-2H]- 272.06931 159.9
[M]+ 251.09409 157.5
[M]- 251.09519 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