CID 3059479

Benzamide, 2-(acetyloxy)-5-chloro-n-(2-phenoxyphenyl)-

Structural Information

Molecular Formula
C21H16ClNO4
SMILES
CC(=O)OC1=C(C=C(C=C1)Cl)C(=O)NC2=CC=CC=C2OC3=CC=CC=C3
InChI
InChI=1S/C21H16ClNO4/c1-14(24)26-19-12-11-15(22)13-17(19)21(25)23-18-9-5-6-10-20(18)27-16-7-3-2-4-8-16/h2-13H,1H3,(H,23,25)
InChIKey
HPWDLBIHXUWWMD-UHFFFAOYSA-N
Compound name
[4-chloro-2-[(2-phenoxyphenyl)carbamoyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.07678 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.08406 187.4
[M+Na]+ 404.06600 194.5
[M-H]- 380.06950 197.2
[M+NH4]+ 399.11060 199.1
[M+K]+ 420.03994 189.5
[M+H-H2O]+ 364.07404 178.3
[M+HCOO]- 426.07498 206.3
[M+CH3COO]- 440.09063 218.1
[M+Na-2H]- 402.05145 189.7
[M]+ 381.07623 192.1
[M]- 381.07733 192.1
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.