CID 3087793

Alpha-aziridinyl-beta-(p-chlorobenzoyl)propionic acid p-chloroanilide

Structural Information

Molecular Formula
C18H16Cl2N2O2
SMILES
C1CN1C(CC(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)Cl
InChI
InChI=1S/C18H16Cl2N2O2/c19-13-3-1-12(2-4-13)17(23)11-16(22-9-10-22)18(24)21-15-7-5-14(20)6-8-15/h1-8,16H,9-11H2,(H,21,24)
InChIKey
JNRAPYYEFYIKRM-UHFFFAOYSA-N
Compound name
2-(aziridin-1-yl)-N,4-bis(4-chlorophenyl)-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.05887 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.06615 179.1
[M+Na]+ 385.04809 194.3
[M+NH4]+ 380.09269 187.1
[M+K]+ 401.02203 188.0
[M-H]- 361.05159 190.1
[M+Na-2H]- 383.03354 189.7
[M]+ 362.05832 186.0
[M]- 362.05942 186.0
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.