CID 3087794

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

Structural Information

Molecular Formula
C18H16Cl2N2O2
SMILES
C1CN1C(CC(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C18H16Cl2N2O2/c19-13-6-4-12(5-7-13)17(23)11-16(22-8-9-22)18(24)21-15-3-1-2-14(20)10-15/h1-7,10,16H,8-9,11H2,(H,21,24)
InChIKey
GLHBUFJFNDOLJC-UHFFFAOYSA-N
Compound name
2-(aziridin-1-yl)-N-(3-chlorophenyl)-4-(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 173.5
[M+Na]+ 385.04809 181.3
[M-H]- 361.05159 180.9
[M+NH4]+ 380.09269 180.8
[M+K]+ 401.02203 174.4
[M+H-H2O]+ 345.05613 165.8
[M+HCOO]- 407.05707 185.6
[M+CH3COO]- 421.07272 216.3
[M+Na-2H]- 383.03354 174.7
[M]+ 362.05832 178.6
[M]- 362.05942 178.6
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.