CID 81095

N-benzylanthranilic acid

Structural Information

Molecular Formula
C14H13NO2
SMILES
C1=CC=C(C=C1)CNC2=CC=CC=C2C(=O)O
InChI
InChI=1S/C14H13NO2/c16-14(17)12-8-4-5-9-13(12)15-10-11-6-2-1-3-7-11/h1-9,15H,10H2,(H,16,17)
InChIKey
JGQKORRBYIBYOF-UHFFFAOYSA-N
Compound name
2-(benzylamino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

151
Patents

227.09464 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.10192 151.3
[M+Na]+ 250.08386 164.6
[M+NH4]+ 245.12846 159.5
[M+K]+ 266.05780 157.4
[M-H]- 226.08736 155.7
[M+Na-2H]- 248.06931 160.5
[M]+ 227.09409 154.4
[M]- 227.09519 154.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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