CID 1591445

Propyl 4-[(4-methoxybenzoyl)amino]benzoate

Structural Information

Molecular Formula
C18H19NO4
SMILES
CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)OC
InChI
InChI=1S/C18H19NO4/c1-3-12-23-18(21)14-4-8-15(9-5-14)19-17(20)13-6-10-16(22-2)11-7-13/h4-11H,3,12H2,1-2H3,(H,19,20)
InChIKey
MGNOHSUFQIIZRA-UHFFFAOYSA-N
Compound name
propyl 4-[(4-methoxybenzoyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.1314 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.13868 173.2
[M+Na]+ 336.12062 178.8
[M-H]- 312.12412 179.7
[M+NH4]+ 331.16522 187.1
[M+K]+ 352.09456 176.3
[M+H-H2O]+ 296.12866 164.6
[M+HCOO]- 358.12960 196.5
[M+CH3COO]- 372.14525 208.3
[M+Na-2H]- 334.10607 175.7
[M]+ 313.13085 176.6
[M]- 313.13195 176.6
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.