CID 135527136

13293-13-5

Structural Information

Molecular Formula
C10H9N5O4
SMILES
CC1=CC(=O)NC(=N1)N/N=C/C2=CC=C(O2)[N+](=O)[O-]
InChI
InChI=1S/C10H9N5O4/c1-6-4-8(16)13-10(12-6)14-11-5-7-2-3-9(19-7)15(17)18/h2-5H,1H3,(H2,12,13,14,16)/b11-5+
InChIKey
WLKZNODGBBNCRM-VZUCSPMQSA-N
Compound name
4-methyl-2-[(2E)-2-[(5-nitrofuran-2-yl)methylidene]hydrazinyl]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

263.06546 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.07274 153.5
[M+Na]+ 286.05468 165.2
[M+NH4]+ 281.09928 158.7
[M+K]+ 302.02862 165.5
[M-H]- 262.05818 157.9
[M+Na-2H]- 284.04013 159.2
[M]+ 263.06491 155.9
[M]- 263.06601 155.9
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.