CID 136187465

Dtxsid40430185

Structural Information

Molecular Formula
C9H14N4O
SMILES
CC/C(=N\NC1=NC(=CC(=O)N1)C)/C
InChI
InChI=1S/C9H14N4O/c1-4-6(2)12-13-9-10-7(3)5-8(14)11-9/h5H,4H2,1-3H3,(H2,10,11,13,14)/b12-6-
InChIKey
YMQFMTLSLUSZMM-SDQBBNPISA-N
Compound name
2-[(2Z)-2-butan-2-ylidenehydrazinyl]-4-methyl-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.11676 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.12404 143.0
[M+Na]+ 217.10598 151.0
[M-H]- 193.10948 144.4
[M+NH4]+ 212.15058 159.6
[M+K]+ 233.07992 148.4
[M+H-H2O]+ 177.11402 135.2
[M+HCOO]- 239.11496 166.6
[M+CH3COO]- 253.13061 189.4
[M+Na-2H]- 215.09143 149.2
[M]+ 194.11621 142.5
[M]- 194.11731 142.5
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.