CID 3074279

Phosphinic amide, p,p-bis(1-aziridinyl)-n-(2,3,4,6-tetra-o-acetyl-beta-d-glucopyranosyl)-

Structural Information

Molecular Formula
C18H28N3O10P
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)NP(=O)(N2CC2)N3CC3)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C18H28N3O10P/c1-10(22)27-9-14-15(28-11(2)23)16(29-12(3)24)17(30-13(4)25)18(31-14)19-32(26,20-5-6-20)21-7-8-21/h14-18H,5-9H2,1-4H3,(H,19,26)/t14-,15-,16+,17-,18-/m1/s1
InChIKey
DJTZQTMPNDHQIR-UYTYNIKBSA-N
Compound name
[(2R,3R,4S,5R,6R)-3,4,5-triacetyloxy-6-[bis(aziridin-1-yl)phosphorylamino]oxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

477.15125 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.15853 177.8
[M+Na]+ 500.14047 184.3
[M+NH4]+ 495.18507 179.6
[M+K]+ 516.11441 189.0
[M-H]- 476.14397 188.8
[M+Na-2H]- 498.12592 182.1
[M]+ 477.15070 183.1
[M]- 477.15180 183.1
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.