CID 13770939

97139-19-0

Structural Information

Molecular Formula
C8H17Cl2N4O5P
SMILES
C1COP(=O)(NC1N(C(=O)NO)O)N(CCCl)CCCl
InChI
InChI=1S/C8H17Cl2N4O5P/c9-2-4-13(5-3-10)20(18)12-7(1-6-19-20)14(17)8(15)11-16/h7,16-17H,1-6H2,(H,11,15)(H,12,18)
InChIKey
RUBBYUZMKQSTGL-UHFFFAOYSA-N
Compound name
1-[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]-1,3-dihydroxyurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.03137 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.03865 167.4
[M+Na]+ 373.02059 171.0
[M-H]- 349.02409 167.0
[M+NH4]+ 368.06519 179.8
[M+K]+ 388.99453 170.3
[M+H-H2O]+ 333.02863 160.9
[M+HCOO]- 395.02957 181.7
[M+CH3COO]- 409.04522 211.2
[M+Na-2H]- 371.00604 168.2
[M]+ 350.03082 168.7
[M]- 350.03192 168.7
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.