CID 3045372

91893-59-3

Structural Information

Molecular Formula
C10H21ClN4O4S
SMILES
CN(C)S(=O)(=O)CCCCCNC(=O)N(CCCl)N=O
InChI
InChI=1S/C10H21ClN4O4S/c1-14(2)20(18,19)9-5-3-4-7-12-10(16)15(13-17)8-6-11/h3-9H2,1-2H3,(H,12,16)
InChIKey
DXVCAMZHQNJBSQ-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-[5-(dimethylsulfamoyl)pentyl]-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

328.0972 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.10448 173.4
[M+Na]+ 351.08642 177.3
[M-H]- 327.08992 177.2
[M+NH4]+ 346.13102 189.0
[M+K]+ 367.06036 176.7
[M+H-H2O]+ 311.09446 166.4
[M+HCOO]- 373.09540 191.2
[M+CH3COO]- 387.11105 220.2
[M+Na-2H]- 349.07187 175.4
[M]+ 328.09665 182.5
[M]- 328.09775 182.5
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

patents stripe