CID 3067545

81733-11-1

Structural Information

Molecular Formula
C9H19Cl2N4O4P
SMILES
CN(C(=O)N)OC1CCOP(=O)(N1)N(CCCl)CCCl
InChI
InChI=1S/C9H19Cl2N4O4P/c1-14(9(12)16)19-8-2-7-18-20(17,13-8)15(5-3-10)6-4-11/h8H,2-7H2,1H3,(H2,12,16)(H,13,17)
InChIKey
MECIDGMXYKQOQW-UHFFFAOYSA-N
Compound name
1-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]oxy]-1-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.0521 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.05938 172.3
[M+Na]+ 371.04132 178.1
[M+NH4]+ 366.08592 177.8
[M+K]+ 387.01526 173.9
[M-H]- 347.04482 172.7
[M+Na-2H]- 369.02677 174.1
[M]+ 348.05155 173.1
[M]- 348.05265 173.1
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.