CID 13770930

97139-49-6

Structural Information

Molecular Formula
C12H25Cl2N4O4P
SMILES
CCN(CC)C(=O)N(C1CCOP(=O)(N1)N(CCCl)CCCl)O
InChI
InChI=1S/C12H25Cl2N4O4P/c1-3-16(4-2)12(19)18(20)11-5-10-22-23(21,15-11)17(8-6-13)9-7-14/h11,20H,3-10H2,1-2H3,(H,15,21)
InChIKey
VZQMCYCAEUKKGK-UHFFFAOYSA-N
Compound name
1-[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]-3,3-diethyl-1-hydroxyurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.09906 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.10634 184.0
[M+Na]+ 413.08828 186.8
[M-H]- 389.09178 185.7
[M+NH4]+ 408.13288 196.3
[M+K]+ 429.06222 186.6
[M+H-H2O]+ 373.09632 176.5
[M+HCOO]- 435.09726 198.8
[M+CH3COO]- 449.11291 225.9
[M+Na-2H]- 411.07373 182.3
[M]+ 390.09851 188.5
[M]- 390.09961 188.5
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.