CID 3074277

155919-81-6

Structural Information

Molecular Formula
C20H33Cl2N2O11P
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)N(CCCl)P(=NCCCl)(OC)OC)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C20H33Cl2N2O11P/c1-12(25)31-11-16-17(32-13(2)26)18(33-14(3)27)19(34-15(4)28)20(35-16)24(10-8-22)36(29-5,30-6)23-9-7-21/h16-20H,7-11H2,1-6H3/t16-,17-,18+,19-,20-/m1/s1
InChIKey
NYIGRXMRDFCIHL-OUUBHVDSSA-N
Compound name
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[2-chloroethyl-[2-chloroethylimino(dimethoxy)-lambda5-phosphanyl]amino]oxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

578.1199 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.12718 235.0
[M+Na]+ 601.10912 249.0
[M-H]- 577.11262 248.6
[M+NH4]+ 596.15372 255.4
[M+K]+ 617.08306 241.8
[M+H-H2O]+ 561.11716 235.9
[M+HCOO]- 623.11810 253.3
[M+CH3COO]- 637.13375 259.4
[M+Na-2H]- 599.09457 226.9
[M]+ 578.11935 240.4
[M]- 578.12045 240.4
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.