CID 319288

134919-56-5

Structural Information

Molecular Formula
C15H13NO3
SMILES
COC(=O)NC1=CC=C(C=C1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C15H13NO3/c1-19-15(18)16-13-9-7-12(8-10-13)14(17)11-5-3-2-4-6-11/h2-10H,1H3,(H,16,18)
InChIKey
BOTDKTBVRZGNOR-UHFFFAOYSA-N
Compound name
methyl N-(4-benzoylphenyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.08954 Da
Monoisotopic Mass

3.1
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.