CID 49767726

[2-[acetyl-(4-bromophenyl)carbamoyl]-5-chloro-phenyl] acetate

Structural Information

Molecular Formula
C17H13BrClNO4
SMILES
CC(=O)N(C1=CC=C(C=C1)Br)C(=O)C2=C(C=C(C=C2)Cl)OC(=O)C
InChI
InChI=1S/C17H13BrClNO4/c1-10(21)20(14-6-3-12(18)4-7-14)17(23)15-8-5-13(19)9-16(15)24-11(2)22/h3-9H,1-2H3
InChIKey
DRXPMWXLQGYWHN-UHFFFAOYSA-N
Compound name
[2-[acetyl-(4-bromophenyl)carbamoyl]-5-chlorophenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

408.97165 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.97893 179.5
[M+Na]+ 431.96087 190.1
[M-H]- 407.96437 190.0
[M+NH4]+ 427.00547 195.1
[M+K]+ 447.93481 178.8
[M+H-H2O]+ 391.96891 178.1
[M+HCOO]- 453.96985 195.9
[M+CH3COO]- 467.98550 220.6
[M+Na-2H]- 429.94632 180.9
[M]+ 408.97110 203.3
[M]- 408.97220 203.3
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

No patent data available for this compound.