CID 13770956

97139-55-4

Structural Information

Molecular Formula
C9H19Cl2N4O4P
SMILES
CN(CCCl)P1(=O)N(C(CCO1)N(C(=O)N)O)CCCl
InChI
InChI=1S/C9H19Cl2N4O4P/c1-13(5-3-10)20(18)14(6-4-11)8(2-7-19-20)15(17)9(12)16/h8,17H,2-7H2,1H3,(H2,12,16)
InChIKey
KDOYGRGQEVAOPC-UHFFFAOYSA-N
Compound name
1-[3-(2-chloroethyl)-2-[2-chloroethyl(methyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]-1-hydroxyurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.0521 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.05938 170.7
[M+Na]+ 371.04132 175.8
[M-H]- 347.04482 172.6
[M+NH4]+ 366.08592 184.6
[M+K]+ 387.01526 175.4
[M+H-H2O]+ 331.04936 163.8
[M+HCOO]- 393.05030 186.7
[M+CH3COO]- 407.06595 217.7
[M+Na-2H]- 369.02677 169.8
[M]+ 348.05155 174.1
[M]- 348.05265 174.1
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.