CID 4251078

2-benzoyl-4-chlorophenyl n-phenylcarbamate

Structural Information

Molecular Formula
C20H14ClNO3
SMILES
C1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)OC(=O)NC3=CC=CC=C3
InChI
InChI=1S/C20H14ClNO3/c21-15-11-12-18(25-20(24)22-16-9-5-2-6-10-16)17(13-15)19(23)14-7-3-1-4-8-14/h1-13H,(H,22,24)
InChIKey
AEHMSNOXYGCVEJ-UHFFFAOYSA-N
Compound name
(2-benzoyl-4-chlorophenyl) N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.06622 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.07350 180.2
[M+Na]+ 374.05544 187.1
[M-H]- 350.05894 189.7
[M+NH4]+ 369.10004 192.9
[M+K]+ 390.02938 181.3
[M+H-H2O]+ 334.06348 171.4
[M+HCOO]- 396.06442 199.3
[M+CH3COO]- 410.08007 211.8
[M+Na-2H]- 372.04089 183.7
[M]+ 351.06567 182.7
[M]- 351.06677 182.7
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.