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]+ 309.136426 169.7
[M+Na]+ 331.118368 176.5
[M-H]- 307.121874 176.2
[M+NH4]+ 326.162973 179.5
[M+K]+ 347.092308 172.1
[M+H-H2O]+ 291.126410 161.9
[M+HCOO]- 353.127351 186.4
[M+CH3COO]- 367.143001 212.7
[M+Na-2H]- 329.103816 169.8
[M]+ 308.12860142 176.1
[M]- 308.12969858 176.1
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.