CID 135484738

Nsc698572

Structural Information

Molecular Formula
C10H9N5O3
SMILES
CN1C(=C(C(=O)NC1=O)/C=N/C2=NC=CC=N2)O
InChI
InChI=1S/C10H9N5O3/c1-15-8(17)6(7(16)14-10(15)18)5-13-9-11-3-2-4-12-9/h2-5,17H,1H3,(H,14,16,18)/b13-5+
InChIKey
BLGMPGCLOHFNKK-WLRTZDKTSA-N
Compound name
6-hydroxy-1-methyl-5-[(E)-pyrimidin-2-yliminomethyl]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.07054 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.07782 154.1
[M+Na]+ 270.05976 165.6
[M-H]- 246.06326 155.6
[M+NH4]+ 265.10436 165.3
[M+K]+ 286.03370 160.3
[M+H-H2O]+ 230.06780 144.5
[M+HCOO]- 292.06874 174.9
[M+CH3COO]- 306.08439 192.0
[M+Na-2H]- 268.04521 161.3
[M]+ 247.06999 154.8
[M]- 247.07109 154.8
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.