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]+ 219.12404 150.2
[M+Na]+ 241.10598 162.4
[M-H]- 217.10948 151.9
[M+NH4]+ 236.15058 165.5
[M+K]+ 257.07992 158.2
[M+H-H2O]+ 201.11402 141.8
[M+HCOO]- 263.11496 169.7
[M+CH3COO]- 277.13061 189.4
[M+Na-2H]- 239.09143 152.8
[M]+ 218.11621 152.6
[M]- 218.11731 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.