CID 61182525

1293141-48-6

Structural Information

Molecular Formula
C15H14N2O4
SMILES
C1=CC=C(C=C1)CNC(=O)NC2=CC(=C(C=C2)O)C(=O)O
InChI
InChI=1S/C15H14N2O4/c18-13-7-6-11(8-12(13)14(19)20)17-15(21)16-9-10-4-2-1-3-5-10/h1-8,18H,9H2,(H,19,20)(H2,16,17,21)
InChIKey
PNEHSISUXMYKOH-UHFFFAOYSA-N
Compound name
5-(benzylcarbamoylamino)-2-hydroxybenzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

286.09537 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.10265 163.3
[M+Na]+ 309.08459 168.4
[M-H]- 285.08809 167.5
[M+NH4]+ 304.12919 176.5
[M+K]+ 325.05853 165.0
[M+H-H2O]+ 269.09263 155.4
[M+HCOO]- 331.09357 185.6
[M+CH3COO]- 345.10922 200.1
[M+Na-2H]- 307.07004 166.9
[M]+ 286.09482 161.3
[M]- 286.09592 161.3
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