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 147.4
[M+Na]+ 245.04119 152.6
[M-H]- 221.04469 150.0
[M+NH4]+ 240.08579 165.9
[M+K]+ 261.01513 153.3
[M+H-H2O]+ 205.04923 141.5
[M+HCOO]- 267.05017 170.5
[M+CH3COO]- 281.06582 201.1
[M+Na-2H]- 243.02664 149.7
[M]+ 222.05142 149.6
[M]- 222.05252 149.6
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.