CID 375432

Nsc655154

Structural Information

Molecular Formula
C11H18N4O6
SMILES
CN1C(=O)C(=C(N=C1OC)N)NC2C(C(C(CO2)O)O)O
InChI
InChI=1S/C11H18N4O6/c1-15-10(19)5(8(12)14-11(15)20-2)13-9-7(18)6(17)4(16)3-21-9/h4,6-7,9,13,16-18H,3,12H2,1-2H3
InChIKey
PGVODIOYTVZUKM-UHFFFAOYSA-N
Compound name
6-amino-2-methoxy-3-methyl-5-[(3,4,5-trihydroxyoxan-2-yl)amino]pyrimidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

302.12262 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12990 169.8
[M+Na]+ 325.11184 177.6
[M-H]- 301.11534 171.3
[M+NH4]+ 320.15644 178.6
[M+K]+ 341.08578 175.8
[M+H-H2O]+ 285.11988 161.3
[M+HCOO]- 347.12082 185.2
[M+CH3COO]- 361.13647 204.7
[M+Na-2H]- 323.09729 170.7
[M]+ 302.12207 168.2
[M]- 302.12317 168.2
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.