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 156.5
[M+Na]+ 277.09475 164.3
[M-H]- 253.09825 161.5
[M+NH4]+ 272.13935 173.7
[M+K]+ 293.06869 159.5
[M+H-H2O]+ 237.10279 149.1
[M+HCOO]- 299.10373 176.9
[M+CH3COO]- 313.11938 168.2
[M+Na-2H]- 275.08020 159.3
[M]+ 254.10498 153.9
[M]- 254.10608 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.