CID 54887669

2-amino-5-(2,3-dihydro-1h-indol-1-yl)benzoic acid

Structural Information

Molecular Formula
C15H14N2O2
SMILES
C1CN(C2=CC=CC=C21)C3=CC(=C(C=C3)N)C(=O)O
InChI
InChI=1S/C15H14N2O2/c16-13-6-5-11(9-12(13)15(18)19)17-8-7-10-3-1-2-4-14(10)17/h1-6,9H,7-8,16H2,(H,18,19)
InChIKey
HPTTUHKADZTQGC-UHFFFAOYSA-N
Compound name
2-amino-5-(2,3-dihydroindol-1-yl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.10553 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.112806 156.5
[M+Na]+ 277.094748 164.3
[M-H]- 253.098254 161.5
[M+NH4]+ 272.139353 173.7
[M+K]+ 293.068688 159.5
[M+H-H2O]+ 237.102790 149.1
[M+HCOO]- 299.103731 176.9
[M+CH3COO]- 313.119381 168.2
[M+Na-2H]- 275.080196 159.3
[M]+ 254.10498142 153.9
[M]- 254.10607858 153.9
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

No patent data available for this compound.