CID 100735

60784-43-2

Structural Information

Molecular Formula
C10H18Cl2N6O4
SMILES
C(CCNC(=O)N(CCCl)N=O)CNC(=O)N(CCCl)N=O
InChI
InChI=1S/C10H18Cl2N6O4/c11-3-7-17(15-21)9(19)13-5-1-2-6-14-10(20)18(16-22)8-4-12/h1-8H2,(H,13,19)(H,14,20)
InChIKey
PQJLRURZNPVKLU-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-[4-[[2-chloroethyl(nitroso)carbamoyl]amino]butyl]-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

356.07666 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.08394 181.3
[M+Na]+ 379.06588 184.5
[M-H]- 355.06938 185.9
[M+NH4]+ 374.11048 195.7
[M+K]+ 395.03982 185.0
[M+H-H2O]+ 339.07392 174.2
[M+HCOO]- 401.07486 204.0
[M+CH3COO]- 415.09051 232.5
[M+Na-2H]- 377.05133 183.6
[M]+ 356.07611 189.8
[M]- 356.07721 189.8
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.