CID 503279

Propyl 2-chloro-5-[(2-methylbenzoyl)amino]benzoate

Structural Information

Molecular Formula
C18H18ClNO3
SMILES
CCCOC(=O)C1=C(C=CC(=C1)NC(=O)C2=CC=CC=C2C)Cl
InChI
InChI=1S/C18H18ClNO3/c1-3-10-23-18(22)15-11-13(8-9-16(15)19)20-17(21)14-7-5-4-6-12(14)2/h4-9,11H,3,10H2,1-2H3,(H,20,21)
InChIKey
LOTPCTPCZAGFIT-UHFFFAOYSA-N
Compound name
propyl 2-chloro-5-[(2-methylbenzoyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

331.09753 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.10481 176.1
[M+Na]+ 354.08675 183.7
[M-H]- 330.09025 182.9
[M+NH4]+ 349.13135 190.7
[M+K]+ 370.06069 178.7
[M+H-H2O]+ 314.09479 168.9
[M+HCOO]- 376.09573 194.8
[M+CH3COO]- 390.11138 211.0
[M+Na-2H]- 352.07220 177.5
[M]+ 331.09698 181.0
[M]- 331.09808 181.0
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

patents stripe