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]+ 255.11281 157.3
[M+Na]+ 277.09475 169.6
[M+NH4]+ 272.13935 165.4
[M+K]+ 293.06869 165.2
[M-H]- 253.09825 160.9
[M+Na-2H]- 275.08020 163.6
[M]+ 254.10498 159.9
[M]- 254.10608 159.9
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.