CID 3074278

155919-82-7

Structural Information

Molecular Formula
C22H37Cl2N2O11P
SMILES
CCOP(=NCCCl)(N(CCCl)[C@H]1[C@@H]([C@H]([C@@H]([C@H](O1)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C)OCC
InChI
InChI=1S/C22H37Cl2N2O11P/c1-7-32-38(33-8-2,25-11-9-23)26(12-10-24)22-21(36-17(6)30)20(35-16(5)29)19(34-15(4)28)18(37-22)13-31-14(3)27/h18-22H,7-13H2,1-6H3/t18-,19-,20+,21-,22-/m1/s1
InChIKey
CXWDELGQXAJFQD-QMCAAQAGSA-N
Compound name
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[2-chloroethyl-[2-chloroethylimino(diethoxy)-lambda5-phosphanyl]amino]oxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

606.1512 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 607.15848 242.1
[M+Na]+ 629.14042 255.7
[M-H]- 605.14392 254.9
[M+NH4]+ 624.18502 262.4
[M+K]+ 645.11436 249.3
[M+H-H2O]+ 589.14846 242.8
[M+HCOO]- 651.14940 259.5
[M+CH3COO]- 665.16505 264.9
[M+Na-2H]- 627.12587 233.1
[M]+ 606.15065 247.5
[M]- 606.15175 247.5
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.