CID 761588

59673-82-4

Structural Information

Molecular Formula
C15H12Cl2N2O3
SMILES
COC(=O)C1=C(C=C(C=C1)C(=O)NC2=C(C=CC(=C2)Cl)Cl)N
InChI
InChI=1S/C15H12Cl2N2O3/c1-22-15(21)10-4-2-8(6-12(10)18)14(20)19-13-7-9(16)3-5-11(13)17/h2-7H,18H2,1H3,(H,19,20)
InChIKey
SQYUJKVKVFILNB-UHFFFAOYSA-N
Compound name
methyl 2-amino-4-[(2,5-dichlorophenyl)carbamoyl]benzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

1072
Patents

338.0225 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.02978 173.3
[M+Na]+ 361.01172 182.5
[M-H]- 337.01522 179.7
[M+NH4]+ 356.05632 187.8
[M+K]+ 376.98566 176.9
[M+H-H2O]+ 321.01976 167.5
[M+HCOO]- 383.02070 188.3
[M+CH3COO]- 397.03635 212.2
[M+Na-2H]- 358.99717 174.1
[M]+ 338.02195 177.3
[M]- 338.02305 177.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe