CID 3043339

2,4'-dibenzoyloxy-3',5'-dichlorobenzanilide

Structural Information

Molecular Formula
C27H17Cl2NO5
SMILES
C1=CC=C(C=C1)C(=O)OC2=CC=CC=C2C(=O)NC3=CC(=C(C(=C3)Cl)OC(=O)C4=CC=CC=C4)Cl
InChI
InChI=1S/C27H17Cl2NO5/c28-21-15-19(16-22(29)24(21)35-27(33)18-11-5-2-6-12-18)30-25(31)20-13-7-8-14-23(20)34-26(32)17-9-3-1-4-10-17/h1-16H,(H,30,31)
InChIKey
HJLODFBFVBMWLT-UHFFFAOYSA-N
Compound name
[2-[(4-benzoyloxy-3,5-dichlorophenyl)carbamoyl]phenyl] benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

505.04837 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 506.05565 214.8
[M+Na]+ 528.03759 221.4
[M-H]- 504.04109 226.6
[M+NH4]+ 523.08219 221.4
[M+K]+ 544.01153 215.4
[M+H-H2O]+ 488.04563 204.5
[M+HCOO]- 550.04657 227.2
[M+CH3COO]- 564.06222 238.4
[M+Na-2H]- 526.02304 214.3
[M]+ 505.04782 221.2
[M]- 505.04892 221.2
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

patents stripe