CID 148900

60784-44-3

Structural Information

Molecular Formula
C11H20Cl2N6O4
SMILES
C(CCNC(=O)N(CCCl)N=O)CCNC(=O)N(CCCl)N=O
InChI
InChI=1S/C11H20Cl2N6O4/c12-4-8-18(16-22)10(20)14-6-2-1-3-7-15-11(21)19(17-23)9-5-13/h1-9H2,(H,14,20)(H,15,21)
InChIKey
IUOREBDXBDTVOS-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-[5-[[2-chloroethyl(nitroso)carbamoyl]amino]pentyl]-1-nitrosourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.09232 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.09960 185.7
[M+Na]+ 393.08154 188.5
[M-H]- 369.08504 190.1
[M+NH4]+ 388.12614 199.6
[M+K]+ 409.05548 188.8
[M+H-H2O]+ 353.08958 178.4
[M+HCOO]- 415.09052 208.1
[M+CH3COO]- 429.10617 235.3
[M+Na-2H]- 391.06699 187.5
[M]+ 370.09177 194.6
[M]- 370.09287 194.6
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.