CID 135312

Sodium 4-[(2,3-dimethylphenoxy)amino]benzoate

Structural Information

Molecular Formula
C15H15NO3
SMILES
CC1=C(C(=CC=C1)ONC2=CC=C(C=C2)C(=O)O)C
InChI
InChI=1S/C15H15NO3/c1-10-4-3-5-14(11(10)2)19-16-13-8-6-12(7-9-13)15(17)18/h3-9,16H,1-2H3,(H,17,18)
InChIKey
PSGFZLXZAVWIRA-UHFFFAOYSA-N
Compound name
4-[(2,3-dimethylphenoxy)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.1052 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.112476 157.0
[M+Na]+ 280.094418 164.5
[M-H]- 256.097924 163.0
[M+NH4]+ 275.139023 173.0
[M+K]+ 296.068358 161.2
[M+H-H2O]+ 240.102460 149.6
[M+HCOO]- 302.103401 180.4
[M+CH3COO]- 316.119051 197.2
[M+Na-2H]- 278.079866 161.1
[M]+ 257.10465142 158.0
[M]- 257.10574858 158.0
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.