CID 12914

Ethyl 4-benzamidobenzoate

Structural Information

Molecular Formula
C16H15NO3
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2
InChI
InChI=1S/C16H15NO3/c1-2-20-16(19)13-8-10-14(11-9-13)17-15(18)12-6-4-3-5-7-12/h3-11H,2H2,1H3,(H,17,18)
InChIKey
XFPYCMXNXPPZRV-UHFFFAOYSA-N
Compound name
ethyl 4-benzamidobenzoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

27
Patents

269.1052 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.11248 162.1
[M+Na]+ 292.09442 174.8
[M+NH4]+ 287.13902 169.4
[M+K]+ 308.06836 168.1
[M-H]- 268.09792 166.1
[M+Na-2H]- 290.07987 170.5
[M]+ 269.10465 164.9
[M]- 269.10575 164.9
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