CID 375921

Nsc656257

Structural Information

Molecular Formula
C20H26N2O10S
SMILES
CC1=CC(=O)N(C(=N1)SC)C2C(C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C20H26N2O10S/c1-9-7-15(27)22(20(21-9)33-6)19-18(31-13(5)26)17(30-12(4)25)16(29-11(3)24)14(32-19)8-28-10(2)23/h7,14,16-19H,8H2,1-6H3
InChIKey
WFLALMZWSCSJMU-UHFFFAOYSA-N
Compound name
[3,4,5-triacetyloxy-6-(4-methyl-2-methylsulfanyl-6-oxopyrimidin-1-yl)oxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.13083 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.13811 204.1
[M+Na]+ 509.12005 209.2
[M-H]- 485.12355 208.7
[M+NH4]+ 504.16465 207.9
[M+K]+ 525.09399 210.4
[M+H-H2O]+ 469.12809 195.3
[M+HCOO]- 531.12903 212.4
[M+CH3COO]- 545.14468 238.2
[M+Na-2H]- 507.10550 198.3
[M]+ 486.13028 215.7
[M]- 486.13138 215.7
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.