CID 496578

Nsc694771

Structural Information

Molecular Formula
C17H20N4O8
SMILES
CC(=O)OCC(C(C1=CN=C2C(=N1)C(=O)N(C(=N2)OC)C)OC(=O)C)OC(=O)C
InChI
InChI=1S/C17H20N4O8/c1-8(22)27-7-12(28-9(2)23)14(29-10(3)24)11-6-18-15-13(19-11)16(25)21(4)17(20-15)26-5/h6,12,14H,7H2,1-5H3
InChIKey
CASQFHYYRFEOEQ-UHFFFAOYSA-N
Compound name
[2,3-diacetyloxy-3-(2-methoxy-3-methyl-4-oxopteridin-6-yl)propyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.1281 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.13538 186.8
[M+Na]+ 431.11732 194.2
[M-H]- 407.12082 186.6
[M+NH4]+ 426.16192 192.8
[M+K]+ 447.09126 194.5
[M+H-H2O]+ 391.12536 177.3
[M+HCOO]- 453.12630 200.5
[M+CH3COO]- 467.14195 225.1
[M+Na-2H]- 429.10277 187.1
[M]+ 408.12755 197.2
[M]- 408.12865 197.2
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.