CID 1591450

Propyl 4-(3-methylbenzamido)benzoate

Structural Information

Molecular Formula
C18H19NO3
SMILES
CCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC(=C2)C
InChI
InChI=1S/C18H19NO3/c1-3-11-22-18(21)14-7-9-16(10-8-14)19-17(20)15-6-4-5-13(2)12-15/h4-10,12H,3,11H2,1-2H3,(H,19,20)
InChIKey
UWAVPEWURXIZKS-UHFFFAOYSA-N
Compound name
propyl 4-[(3-methylbenzoyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

297.1365 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.143776 170.3
[M+Na]+ 320.125718 176.0
[M-H]- 296.129224 176.8
[M+NH4]+ 315.170323 185.0
[M+K]+ 336.099658 172.8
[M+H-H2O]+ 280.133760 161.9
[M+HCOO]- 342.134701 193.4
[M+CH3COO]- 356.150351 206.2
[M+Na-2H]- 318.111166 172.7
[M]+ 297.13595142 172.3
[M]- 297.13704858 172.3
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

No patent data available for this compound.