CID 60229

108260-28-2

Structural Information

Molecular Formula
C15H19ClN2O2
SMILES
CC(C)NC(=O)C(CC(=O)C1=CC=C(C=C1)Cl)N2CC2
InChI
InChI=1S/C15H19ClN2O2/c1-10(2)17-15(20)13(18-7-8-18)9-14(19)11-3-5-12(16)6-4-11/h3-6,10,13H,7-9H2,1-2H3,(H,17,20)
InChIKey
YPZQOKYHKDHTQA-UHFFFAOYSA-N
Compound name
2-(aziridin-1-yl)-4-(4-chlorophenyl)-4-oxo-N-propan-2-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

294.1135 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.120776 164.0
[M+Na]+ 317.102718 170.8
[M-H]- 293.106224 169.4
[M+NH4]+ 312.147323 173.7
[M+K]+ 333.076658 165.9
[M+H-H2O]+ 277.110760 156.8
[M+HCOO]- 339.111701 179.7
[M+CH3COO]- 353.127351 207.6
[M+Na-2H]- 315.088166 164.4
[M]+ 294.11295142 168.4
[M]- 294.11404858 168.4
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.