CID 319552

Nsc263860

Structural Information

Molecular Formula
C28H41N9O19
SMILES
CC(=O)OC1C(OC(C(C1OC(=O)C)OC(=O)C)OC2(C(C(C(O2)CNC(=O)N(C)N=O)OC(=O)C)OC(=O)C)CNC(=O)N(C)N=O)CNC(=O)N(C)N=O
InChI
InChI=1S/C28H41N9O19/c1-12(38)49-19-17(9-29-25(43)35(6)32-46)54-24(22(52-15(4)41)21(19)51-14(3)40)56-28(11-31-27(45)37(8)34-48)23(53-16(5)42)20(50-13(2)39)18(55-28)10-30-26(44)36(7)33-47/h17-24H,9-11H2,1-8H3,(H,29,43)(H,30,44)(H,31,45)
InChIKey
SJCOKTCVINGXLY-UHFFFAOYSA-N
Compound name
[4,5-diacetyloxy-6-[3,4-diacetyloxy-2,5-bis[[[methyl(nitroso)carbamoyl]amino]methyl]oxolan-2-yl]oxy-2-[[[methyl(nitroso)carbamoyl]amino]methyl]oxan-3-yl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

807.2519 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 808.25918 275.3
[M+Na]+ 830.24112 267.7
[M-H]- 806.24462 278.9
[M+NH4]+ 825.28572 275.5
[M+K]+ 846.21506 268.8
[M+H-H2O]+ 790.24916 261.0
[M+HCOO]- 852.25010 276.0
[M+CH3COO]- 866.26575 278.6
[M+Na-2H]- 828.22657 312.2
[M]+ 807.25135 295.0
[M]- 807.25245 295.0
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.