CID 806009

Phenyl n-(4-acetylphenyl)carbamate

Structural Information

Molecular Formula
C15H13NO3
SMILES
CC(=O)C1=CC=C(C=C1)NC(=O)OC2=CC=CC=C2
InChI
InChI=1S/C15H13NO3/c1-11(17)12-7-9-13(10-8-12)16-15(18)19-14-5-3-2-4-6-14/h2-10H,1H3,(H,16,18)
InChIKey
LETGZXPZNAIRNJ-UHFFFAOYSA-N
Compound name
phenyl N-(4-acetylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

51
Patents

255.08954 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.09682 157.6
[M+Na]+ 278.07876 170.5
[M+NH4]+ 273.12336 165.1
[M+K]+ 294.05270 164.1
[M-H]- 254.08226 161.6
[M+Na-2H]- 276.06421 166.3
[M]+ 255.08899 160.4
[M]- 255.09009 160.4
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