CID 60228

108260-27-1

Structural Information

Molecular Formula
C16H21ClN2O2
SMILES
CCN(CC)C(=O)C(CC(=O)C1=CC=C(C=C1)Cl)N2CC2
InChI
InChI=1S/C16H21ClN2O2/c1-3-18(4-2)16(21)14(19-9-10-19)11-15(20)12-5-7-13(17)8-6-12/h5-8,14H,3-4,9-11H2,1-2H3
InChIKey
FCZZMHGZUAFZCU-UHFFFAOYSA-N
Compound name
2-(aziridin-1-yl)-4-(4-chlorophenyl)-N,N-diethyl-4-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.12915 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.13643 168.6
[M+Na]+ 331.11837 180.8
[M+NH4]+ 326.16297 175.9
[M+K]+ 347.09231 176.6
[M-H]- 307.12187 177.6
[M+Na-2H]- 329.10382 176.6
[M]+ 308.12860 174.1
[M]- 308.12970 174.1
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.