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

8
Patents

294.10043 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.10771 165.6
[M+Na]+ 317.08965 172.9
[M-H]- 293.09315 170.0
[M+NH4]+ 312.13425 180.4
[M+K]+ 333.06359 167.5
[M+H-H2O]+ 277.09769 157.9
[M+HCOO]- 339.09863 186.7
[M+CH3COO]- 353.11428 199.1
[M+Na-2H]- 315.07510 169.6
[M]+ 294.09988 165.3
[M]- 294.10098 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