CID 135747237

Dtxsid50430176

Structural Information

Molecular Formula
C10H16N4O
SMILES
CCC/C(=N\NC1=NC(=CC(=O)N1)C)/C
InChI
InChI=1S/C10H16N4O/c1-4-5-7(2)13-14-10-11-8(3)6-9(15)12-10/h6H,4-5H2,1-3H3,(H2,11,12,14,15)/b13-7-
InChIKey
GFNVWPOLZGTELU-QPEQYQDCSA-N
Compound name
4-methyl-2-[(2Z)-2-pentan-2-ylidenehydrazinyl]-1H-pyrimidin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

208.13242 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.139696 147.4
[M+Na]+ 231.121638 155.0
[M-H]- 207.125144 148.7
[M+NH4]+ 226.166243 163.5
[M+K]+ 247.095578 152.2
[M+H-H2O]+ 191.129680 139.5
[M+HCOO]- 253.130621 170.7
[M+CH3COO]- 267.146271 192.4
[M+Na-2H]- 229.107086 153.2
[M]+ 208.13187142 147.3
[M]- 208.13296858 147.3
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.