CID 39096504

1176499-81-2

Structural Information

Molecular Formula
C11H14N4O
SMILES
CC1=CC(=NC(=N1)N2C(=C(C(=N2)C)O)C)C
InChI
InChI=1S/C11H14N4O/c1-6-5-7(2)13-11(12-6)15-9(4)10(16)8(3)14-15/h5,16H,1-4H3
InChIKey
RSZMZDSRUOLQNG-UHFFFAOYSA-N
Compound name
1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.11676 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.124036 150.2
[M+Na]+ 241.105978 162.4
[M-H]- 217.109484 151.9
[M+NH4]+ 236.150583 165.5
[M+K]+ 257.079918 158.2
[M+H-H2O]+ 201.114020 141.8
[M+HCOO]- 263.114961 169.7
[M+CH3COO]- 277.130611 189.4
[M+Na-2H]- 239.091426 152.8
[M]+ 218.11621142 152.6
[M]- 218.11730858 152.6
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.