CID 456111

3'-menoac-5'ac-dt

Structural Information

Molecular Formula
C15H21N3O7
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)C)N(C)OC(=O)C
InChI
InChI=1S/C15H21N3O7/c1-8-6-18(15(22)16-14(8)21)13-5-11(17(4)25-10(3)20)12(24-13)7-23-9(2)19/h6,11-13H,5,7H2,1-4H3,(H,16,21,22)/t11-,12+,13+/m0/s1
InChIKey
CKOUFBSFTDASTN-YNEHKIRRSA-N
Compound name
[(2S,3S,5R)-3-[acetyloxy(methyl)amino]-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.13794 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.14522 176.7
[M+Na]+ 378.12716 183.8
[M-H]- 354.13066 182.3
[M+NH4]+ 373.17176 187.1
[M+K]+ 394.10110 184.4
[M+H-H2O]+ 338.13520 168.6
[M+HCOO]- 400.13614 195.2
[M+CH3COO]- 414.15179 216.0
[M+Na-2H]- 376.11261 175.0
[M]+ 355.13739 182.3
[M]- 355.13849 182.3
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.