CID 689910

Ethyl 4-[(2-methylbenzoyl)amino]benzoate

Structural Information

Molecular Formula
C17H17NO3
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C
InChI
InChI=1S/C17H17NO3/c1-3-21-17(20)13-8-10-14(11-9-13)18-16(19)15-7-5-4-6-12(15)2/h4-11H,3H2,1-2H3,(H,18,19)
InChIKey
RECWKGFLXTXYQR-UHFFFAOYSA-N
Compound name
ethyl 4-[(2-methylbenzoyl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

53
Patents

283.12085 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.12813 165.6
[M+Na]+ 306.11007 171.8
[M-H]- 282.11357 172.4
[M+NH4]+ 301.15467 180.9
[M+K]+ 322.08401 168.9
[M+H-H2O]+ 266.11811 157.5
[M+HCOO]- 328.11905 189.1
[M+CH3COO]- 342.13470 203.2
[M+Na-2H]- 304.09552 168.6
[M]+ 283.12030 167.3
[M]- 283.12140 167.3
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