CID 3087795

Alpha-(2-(4-chlorophenyl)-2-oxoethyl)-n-(2,5-dichlorophenyl)-1-aziridineacetamide

Structural Information

Molecular Formula
C18H15Cl3N2O2
SMILES
C1CN1C(CC(=O)C2=CC=C(C=C2)Cl)C(=O)NC3=C(C=CC(=C3)Cl)Cl
InChI
InChI=1S/C18H15Cl3N2O2/c19-12-3-1-11(2-4-12)17(24)10-16(23-7-8-23)18(25)22-15-9-13(20)5-6-14(15)21/h1-6,9,16H,7-8,10H2,(H,22,25)
InChIKey
AXGWGDBJOQNRGU-UHFFFAOYSA-N
Compound name
2-(aziridin-1-yl)-4-(4-chlorophenyl)-N-(2,5-dichlorophenyl)-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

396.0199 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.02718 175.9
[M+Na]+ 419.00912 184.1
[M-H]- 395.01262 182.1
[M+NH4]+ 414.05372 182.3
[M+K]+ 434.98306 176.9
[M+H-H2O]+ 379.01716 168.9
[M+HCOO]- 441.01810 182.8
[M+CH3COO]- 455.03375 221.6
[M+Na-2H]- 416.99457 175.6
[M]+ 396.01935 181.6
[M]- 396.02045 181.6
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.