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]+ 256.096816 156.7
[M+Na]+ 278.078758 162.8
[M-H]- 254.082264 163.4
[M+NH4]+ 273.123363 172.8
[M+K]+ 294.052698 160.2
[M+H-H2O]+ 238.086800 148.8
[M+HCOO]- 300.087741 180.8
[M+CH3COO]- 314.103391 196.0
[M+Na-2H]- 276.064206 161.5
[M]+ 255.08899142 157.2
[M]- 255.09008858 157.2
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