CID 42608

Benzoic acid, 2-((1h-indol-3-ylacetyl)amino)-

Structural Information

Molecular Formula
C17H14N2O3
SMILES
C1=CC=C2C(=C1)C(=CN2)CC(=O)NC3=CC=CC=C3C(=O)O
InChI
InChI=1S/C17H14N2O3/c20-16(19-15-8-4-2-6-13(15)17(21)22)9-11-10-18-14-7-3-1-5-12(11)14/h1-8,10,18H,9H2,(H,19,20)(H,21,22)
InChIKey
IXALVQOEBFANLT-UHFFFAOYSA-N
Compound name
2-[[2-(1H-indol-3-yl)acetyl]amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

294.10043 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.107706 165.6
[M+Na]+ 317.089648 172.9
[M-H]- 293.093154 170.0
[M+NH4]+ 312.134253 180.4
[M+K]+ 333.063588 167.5
[M+H-H2O]+ 277.097690 157.9
[M+HCOO]- 339.098631 186.7
[M+CH3COO]- 353.114281 199.1
[M+Na-2H]- 315.075096 169.6
[M]+ 294.09988142 165.3
[M]- 294.10097858 165.3
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