CID 371467

Nsc645740

Structural Information

Molecular Formula
C23H29N5O10S2
SMILES
CC(=O)OCC1C(C(C(C(O1)NC2=C(C(=O)N(C(=N2)SC)C)C3=CSC(=N3)N)OC(=O)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C23H29N5O10S2/c1-9(29)34-7-14-16(35-10(2)30)17(36-11(3)31)18(37-12(4)32)20(38-14)26-19-15(13-8-40-22(24)25-13)21(33)28(5)23(27-19)39-6/h8,14,16-18,20,26H,7H2,1-6H3,(H2,24,25)
InChIKey
YTBQQRAVDCRVSX-UHFFFAOYSA-N
Compound name
[3,4,5-triacetyloxy-6-[[5-(2-amino-1,3-thiazol-4-yl)-1-methyl-2-methylsulfanyl-6-oxopyrimidin-4-yl]amino]oxan-2-yl]methyl acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

599.13556 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 600.14284 232.3
[M+Na]+ 622.12478 235.2
[M-H]- 598.12828 238.0
[M+NH4]+ 617.16938 231.0
[M+K]+ 638.09872 234.3
[M+H-H2O]+ 582.13282 224.1
[M+HCOO]- 644.13376 236.4
[M+CH3COO]- 658.14941 262.0
[M+Na-2H]- 620.11023 225.6
[M]+ 599.13501 242.4
[M]- 599.13611 242.4
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.