CID 459328

4-benzylaminosalicylic acid

Structural Information

Molecular Formula
C14H13NO3
SMILES
C1=CC=C(C=C1)CNC2=CC(=C(C=C2)C(=O)O)O
InChI
InChI=1S/C14H13NO3/c16-13-8-11(6-7-12(13)14(17)18)15-9-10-4-2-1-3-5-10/h1-8,15-16H,9H2,(H,17,18)
InChIKey
DORGHVATGZQCJV-UHFFFAOYSA-N
Compound name
4-(benzylamino)-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

243.08954 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.09682 152.8
[M+Na]+ 266.07876 159.3
[M-H]- 242.08226 157.1
[M+NH4]+ 261.12336 168.3
[M+K]+ 282.05270 155.3
[M+H-H2O]+ 226.08680 145.6
[M+HCOO]- 288.08774 175.0
[M+CH3COO]- 302.10339 190.6
[M+Na-2H]- 264.06421 157.7
[M]+ 243.08899 151.2
[M]- 243.09009 151.2
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