CID 60230

108260-30-6

Structural Information

Molecular Formula
C18H23ClN2O2
SMILES
C1CCC(CC1)NC(=O)C(CC(=O)C2=CC=C(C=C2)Cl)N3CC3
InChI
InChI=1S/C18H23ClN2O2/c19-14-8-6-13(7-9-14)17(22)12-16(21-10-11-21)18(23)20-15-4-2-1-3-5-15/h6-9,15-16H,1-5,10-12H2,(H,20,23)
InChIKey
UTQVBLNSLNLRPN-UHFFFAOYSA-N
Compound name
2-(aziridin-1-yl)-4-(4-chlorophenyl)-N-cyclohexyl-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.1448 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.152076 174.3
[M+Na]+ 357.134018 178.3
[M-H]- 333.137524 181.3
[M+NH4]+ 352.178623 181.7
[M+K]+ 373.107958 173.0
[M+H-H2O]+ 317.142060 165.9
[M+HCOO]- 379.143001 187.1
[M+CH3COO]- 393.158651 212.3
[M+Na-2H]- 355.119466 173.9
[M]+ 334.14425142 173.7
[M]- 334.14534858 173.7
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.