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]+ 335.15208 174.3
[M+Na]+ 357.13402 178.3
[M-H]- 333.13752 181.3
[M+NH4]+ 352.17862 181.7
[M+K]+ 373.10796 173.0
[M+H-H2O]+ 317.14206 165.9
[M+HCOO]- 379.14300 187.1
[M+CH3COO]- 393.15865 212.3
[M+Na-2H]- 355.11947 173.9
[M]+ 334.14425 173.7
[M]- 334.14535 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.