CID 216846

Brn 1094125

Structural Information

Molecular Formula
C13H28ClN2O8PS2
SMILES
CS(=O)(=O)OCCCN(CCCOS(=O)(=O)C)P1(=O)N(CCCO1)CCCl
InChI
InChI=1S/C13H28ClN2O8PS2/c1-26(18,19)23-12-4-8-15(9-5-13-24-27(2,20)21)25(17)16(10-6-14)7-3-11-22-25/h3-13H2,1-2H3
InChIKey
CPMUZAHZMMONPM-UHFFFAOYSA-N
Compound name
3-[[3-(2-chloroethyl)-2-oxo-1,3,2lambda5-oxazaphosphinan-2-yl]-(3-methylsulfonyloxypropyl)amino]propyl methanesulfonate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

470.07132 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.07860 195.8
[M+Na]+ 493.06054 199.3
[M+NH4]+ 488.10514 198.8
[M+K]+ 509.03448 193.4
[M-H]- 469.06404 192.4
[M+Na-2H]- 491.04599 196.0
[M]+ 470.07077 196.0
[M]- 470.07187 196.0
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.