CID 13770926

97139-44-1

Structural Information

Molecular Formula
C11H24Cl2N4O5P2
SMILES
CP(=O)(C)CNC(=O)N(C1CCOP(=O)(N1)N(CCCl)CCCl)O
InChI
InChI=1S/C11H24Cl2N4O5P2/c1-23(2,20)9-14-11(18)17(19)10-3-8-22-24(21,15-10)16(6-4-12)7-5-13/h10,19H,3-9H2,1-2H3,(H,14,18)(H,15,21)
InChIKey
RCLBZECPVZEYFP-UHFFFAOYSA-N
Compound name
1-[2-[bis(2-chloroethyl)amino]-2-oxo-1,3,2lambda5-oxazaphosphinan-4-yl]-3-(dimethylphosphorylmethyl)-1-hydroxyurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.0599 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.06718 188.9
[M+Na]+ 447.04912 192.5
[M+NH4]+ 442.09372 192.3
[M+K]+ 463.02306 189.8
[M-H]- 423.05262 187.1
[M+Na-2H]- 445.03457 188.8
[M]+ 424.05935 188.6
[M]- 424.06045 188.6
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.