CID 96586

Nsc 81172

Structural Information

Molecular Formula
C12H22Cl2N4O2
SMILES
C1CCC(C(C1)NC(=O)NCCCl)NC(=O)NCCCl
InChI
InChI=1S/C12H22Cl2N4O2/c13-5-7-15-11(19)17-9-3-1-2-4-10(9)18-12(20)16-8-6-14/h9-10H,1-8H2,(H2,15,17,19)(H2,16,18,20)
InChIKey
CMCLQPSPSCZGRS-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-[2-(2-chloroethylcarbamoylamino)cyclohexyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.11197 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.11925 175.8
[M+Na]+ 347.10119 177.8
[M-H]- 323.10469 177.2
[M+NH4]+ 342.14579 189.8
[M+K]+ 363.07513 173.3
[M+H-H2O]+ 307.10923 170.2
[M+HCOO]- 369.11017 188.5
[M+CH3COO]- 383.12582 212.5
[M+Na-2H]- 345.08664 176.2
[M]+ 324.11142 173.2
[M]- 324.11252 173.2
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.