CID 3010838

Us-06323202

Structural Information

Molecular Formula
C20H15ClN2O4
SMILES
C1=CC(=CC(=C1)NC(=O)C2=C(C=C(C=C2)Cl)O)C(=O)OCC3=CN=CC=C3
InChI
InChI=1S/C20H15ClN2O4/c21-15-6-7-17(18(24)10-15)19(25)23-16-5-1-4-14(9-16)20(26)27-12-13-3-2-8-22-11-13/h1-11,24H,12H2,(H,23,25)
InChIKey
BKDRFEYRCCNPPA-UHFFFAOYSA-N
Compound name
pyridin-3-ylmethyl 3-[(4-chloro-2-hydroxybenzoyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

382.07202 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.07930 186.2
[M+Na]+ 405.06124 193.2
[M-H]- 381.06474 193.4
[M+NH4]+ 400.10584 195.7
[M+K]+ 421.03518 187.3
[M+H-H2O]+ 365.06928 176.6
[M+HCOO]- 427.07022 202.6
[M+CH3COO]- 441.08587 215.6
[M+Na-2H]- 403.04669 188.9
[M]+ 382.07147 189.1
[M]- 382.07257 189.1
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.