CID 4383794

Acetic acid phenyl-p-tolylcarbamoyl-methyl ester

Structural Information

Molecular Formula
C17H17NO3
SMILES
CC1=CC=C(C=C1)NC(=O)C(C2=CC=CC=C2)OC(=O)C
InChI
InChI=1S/C17H17NO3/c1-12-8-10-15(11-9-12)18-17(20)16(21-13(2)19)14-6-4-3-5-7-14/h3-11,16H,1-2H3,(H,18,20)
InChIKey
AJWWKPUEQUMGJK-UHFFFAOYSA-N
Compound name
[2-(4-methylanilino)-2-oxo-1-phenylethyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 166.2
[M+Na]+ 306.11007 178.3
[M+NH4]+ 301.15467 173.3
[M+K]+ 322.08401 172.3
[M-H]- 282.11357 169.9
[M+Na-2H]- 304.09552 174.0
[M]+ 283.12030 168.8
[M]- 283.12140 168.8
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.