CID 13770906

97139-65-6

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.09906 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.10634 185.5
[M+Na]+ 413.08828 190.5
[M+NH4]+ 408.13288 190.3
[M+K]+ 429.06222 185.6
[M-H]- 389.09178 185.4
[M+Na-2H]- 411.07373 186.4
[M]+ 390.09851 186.0
[M]- 390.09961 186.0
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

No patent data available for this compound.