CID 108142

N-chlorothylnitrosourea sarcosinamide

Structural Information

Molecular Formula
C6H11ClN4O3
SMILES
CC(C(=O)N)NC(=O)N(CCCl)N=O
InChI
InChI=1S/C6H11ClN4O3/c1-4(5(8)12)9-6(13)11(10-14)3-2-7/h4H,2-3H2,1H3,(H2,8,12)(H,9,13)
InChIKey
UKTDZTRUMWTDID-UHFFFAOYSA-N
Compound name
2-[[2-chloroethyl(nitroso)carbamoyl]amino]propanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

34
References

0
Patents

222.05197 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.05925 146.5
[M+Na]+ 245.04119 151.8
[M+NH4]+ 240.08579 151.4
[M+K]+ 261.01513 149.8
[M-H]- 221.04469 145.6
[M+Na-2H]- 243.02664 147.9
[M]+ 222.05142 146.4
[M]- 222.05252 146.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.