CID 24839228

97139-16-7

Structural Information

Molecular Formula
C9H18Cl2N5O5P
SMILES
C1COP(=O)(NC1NC(=O)N(C(=O)N)O)N(CCCl)CCCl
InChI
InChI=1S/C9H18Cl2N5O5P/c10-2-4-15(5-3-11)22(20)14-7(1-6-21-22)13-9(18)16(19)8(12)17/h7,19H,1-6H2,(H2,12,17)(H,13,18)(H,14,20)
InChIKey
MKJICVBNGZKLHT-UHFFFAOYSA-N
Compound name
3-[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]-1-carbamoyl-1-hydroxyurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

377.04227 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.04955 177.7
[M+Na]+ 400.03149 181.0
[M+NH4]+ 395.07609 181.4
[M+K]+ 416.00543 178.8
[M-H]- 376.03499 176.8
[M+Na-2H]- 398.01694 177.9
[M]+ 377.04172 177.5
[M]- 377.04282 177.5
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

No patent data available for this compound.