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 164.0
[M+Na]+ 317.10272 170.8
[M-H]- 293.10622 169.4
[M+NH4]+ 312.14732 173.7
[M+K]+ 333.07666 165.9
[M+H-H2O]+ 277.11076 156.8
[M+HCOO]- 339.11170 179.7
[M+CH3COO]- 353.12735 207.6
[M+Na-2H]- 315.08817 164.4
[M]+ 294.11295 168.4
[M]- 294.11405 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.