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]+ 295.12078 165.0
[M+Na]+ 317.10272 176.9
[M+NH4]+ 312.14732 172.2
[M+K]+ 333.07666 173.2
[M-H]- 293.10622 173.6
[M+Na-2H]- 315.08817 172.7
[M]+ 294.11295 170.3
[M]- 294.11405 170.3
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.