CID 3067544

81733-10-0

Structural Information

Molecular Formula
C10H21Cl2N4O4P
SMILES
CN(C)C(=O)NOC1CCOP(=O)(N1)N(CCCl)CCCl
InChI
InChI=1S/C10H21Cl2N4O4P/c1-15(2)10(17)13-20-9-3-8-19-21(18,14-9)16(6-4-11)7-5-12/h9H,3-8H2,1-2H3,(H,13,17)(H,14,18)
InChIKey
LWOIQZXCUXEVJX-UHFFFAOYSA-N
Compound name
3-[[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]oxy]-1,1-dimethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.06775 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.07503 176.6
[M+Na]+ 385.05697 182.5
[M+NH4]+ 380.10157 182.1
[M+K]+ 401.03091 177.8
[M-H]- 361.06047 177.1
[M+Na-2H]- 383.04242 178.6
[M]+ 362.06720 177.5
[M]- 362.06830 177.5
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.