CID 13770904

97139-62-3

Structural Information

Molecular Formula
C9H19Cl2N4O4P
SMILES
CNC(=O)N(C1CCOP(=O)(N1)N(CCCl)CCCl)O
InChI
InChI=1S/C9H19Cl2N4O4P/c1-12-9(16)15(17)8-2-7-19-20(18,13-8)14(5-3-10)6-4-11/h8,17H,2-7H2,1H3,(H,12,16)(H,13,18)
InChIKey
RDPJUTFWRLOAJN-UHFFFAOYSA-N
Compound name
1-[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]-1-hydroxy-3-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.0521 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.05938 170.9
[M+Na]+ 371.04132 174.7
[M-H]- 347.04482 171.6
[M+NH4]+ 366.08592 184.1
[M+K]+ 387.01526 173.8
[M+H-H2O]+ 331.04936 163.9
[M+HCOO]- 393.05030 186.1
[M+CH3COO]- 407.06595 214.1
[M+Na-2H]- 369.02677 171.2
[M]+ 348.05155 173.0
[M]- 348.05265 173.0
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.