CID 13770951

97139-58-7

Structural Information

Molecular Formula
C10H20Cl3N4O4P
SMILES
C1COP(=O)(N(C1N(C(=O)N)O)CCCl)N(CCCl)CCCl
InChI
InChI=1S/C10H20Cl3N4O4P/c11-2-5-15(6-3-12)22(20)16(7-4-13)9(1-8-21-22)17(19)10(14)18/h9,19H,1-8H2,(H2,14,18)
InChIKey
QAPUBFAUKQLADZ-UHFFFAOYSA-N
Compound name
1-[2-[bis(2-chloroethyl)amino]-3-(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]-1-hydroxyurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

396.02878 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 397.03606 180.3
[M+Na]+ 419.01800 186.7
[M+NH4]+ 414.06260 185.6
[M+K]+ 434.99194 181.9
[M-H]- 395.02150 180.4
[M+Na-2H]- 417.00345 181.7
[M]+ 396.02823 181.5
[M]- 396.02933 181.5
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

patents stripe