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 178.1
[M+Na]+ 419.01800 182.8
[M-H]- 395.02150 179.0
[M+NH4]+ 414.06260 190.3
[M+K]+ 434.99194 181.3
[M+H-H2O]+ 379.02604 172.1
[M+HCOO]- 441.02698 188.6
[M+CH3COO]- 455.04263 224.9
[M+Na-2H]- 417.00345 176.2
[M]+ 396.02823 182.0
[M]- 396.02933 182.0
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