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 175.0
[M+Na]+ 400.03149 177.9
[M-H]- 376.03499 175.5
[M+NH4]+ 395.07609 186.4
[M+K]+ 416.00543 177.7
[M+H-H2O]+ 360.03953 168.2
[M+HCOO]- 422.04047 190.2
[M+CH3COO]- 436.05612 220.8
[M+Na-2H]- 398.01694 174.1
[M]+ 377.04172 175.6
[M]- 377.04282 175.6
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.