CID 3087803

Alpha-(2-(4-chlorophenyl)-2-oxoethyl)-n-(3-methylbutyl)-1-aziridineacetamide

Structural Information

Molecular Formula
C17H23ClN2O2
SMILES
CC(C)CCNC(=O)C(CC(=O)C1=CC=C(C=C1)Cl)N2CC2
InChI
InChI=1S/C17H23ClN2O2/c1-12(2)7-8-19-17(22)15(20-9-10-20)11-16(21)13-3-5-14(18)6-4-13/h3-6,12,15H,7-11H2,1-2H3,(H,19,22)
InChIKey
CFFXKQUUYKGPIN-UHFFFAOYSA-N
Compound name
2-(aziridin-1-yl)-4-(4-chlorophenyl)-N-(3-methylbutyl)-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.1448 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.15208 172.4
[M+Na]+ 345.13402 178.5
[M-H]- 321.13752 177.5
[M+NH4]+ 340.17862 181.1
[M+K]+ 361.10796 173.1
[M+H-H2O]+ 305.14206 165.0
[M+HCOO]- 367.14300 187.5
[M+CH3COO]- 381.15865 213.2
[M+Na-2H]- 343.11947 171.9
[M]+ 322.14425 177.5
[M]- 322.14535 177.5
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.