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 213.0
[M+Na]+ 500.14047 215.9
[M-H]- 476.14397 218.6
[M+NH4]+ 495.18507 207.9
[M+K]+ 516.11441 214.7
[M+H-H2O]+ 460.14851 204.7
[M+HCOO]- 522.14945 227.2
[M+CH3COO]- 536.16510 241.1
[M+Na-2H]- 498.12592 207.0
[M]+ 477.15070 223.3
[M]- 477.15180 223.3
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.