CID 135430042

Nsc694773

Structural Information

Molecular Formula
C16H18N4O8
SMILES
CC(=O)OCC(C(C1=CN=C2C(=N1)C(=O)NC(=N2)OC)OC(=O)C)OC(=O)C
InChI
InChI=1S/C16H18N4O8/c1-7(21)26-6-11(27-8(2)22)13(28-9(3)23)10-5-17-14-12(18-10)15(24)20-16(19-14)25-4/h5,11,13H,6H2,1-4H3,(H,17,19,20,24)
InChIKey
MRONITOUWVTWJP-UHFFFAOYSA-N
Compound name
[2,3-diacetyloxy-3-(2-methoxy-4-oxo-3H-pteridin-6-yl)propyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.11246 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.11974 183.1
[M+Na]+ 417.10168 189.6
[M-H]- 393.10518 181.4
[M+NH4]+ 412.14628 188.7
[M+K]+ 433.07562 189.4
[M+H-H2O]+ 377.10972 173.7
[M+HCOO]- 439.11066 195.7
[M+CH3COO]- 453.12631 218.8
[M+Na-2H]- 415.08713 184.1
[M]+ 394.11191 190.9
[M]- 394.11301 190.9
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.