CID 155906224

1184768-58-8

Structural Information

Molecular Formula
C19H17BrClNO2
SMILES
C1CC1CN(C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)C(=O)CBr
InChI
InChI=1S/C19H17BrClNO2/c20-11-18(23)22(12-13-6-7-13)17-9-8-15(21)10-16(17)19(24)14-4-2-1-3-5-14/h1-5,8-10,13H,6-7,11-12H2
InChIKey
IWQYAYFBNZSQJG-UHFFFAOYSA-N
Compound name
N-(2-benzoyl-4-chlorophenyl)-2-bromo-N-(cyclopropylmethyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

405.01312 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.02040 180.2
[M+Na]+ 428.00234 190.9
[M-H]- 404.00584 193.0
[M+NH4]+ 423.04694 191.4
[M+K]+ 443.97628 177.8
[M+H-H2O]+ 388.01038 178.4
[M+HCOO]- 450.01132 197.2
[M+CH3COO]- 464.02697 222.3
[M+Na-2H]- 425.98779 182.7
[M]+ 405.01257 203.1
[M]- 405.01367 203.1
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.