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]+ 248.077816 154.1
[M+Na]+ 270.059758 165.6
[M-H]- 246.063264 155.6
[M+NH4]+ 265.104363 165.3
[M+K]+ 286.033698 160.3
[M+H-H2O]+ 230.067800 144.5
[M+HCOO]- 292.068741 174.9
[M+CH3COO]- 306.084391 192.0
[M+Na-2H]- 268.045206 161.3
[M]+ 247.06999142 154.8
[M]- 247.07108858 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.