CID 43324259

1-(4,6-dimethylpyrimidin-2-yl)-3-(propan-2-yl)-1h-pyrazole-4-carboxylic acid

Structural Information

Molecular Formula
C13H16N4O2
SMILES
CC1=CC(=NC(=N1)N2C=C(C(=N2)C(C)C)C(=O)O)C
InChI
InChI=1S/C13H16N4O2/c1-7(2)11-10(12(18)19)6-17(16-11)13-14-8(3)5-9(4)15-13/h5-7H,1-4H3,(H,18,19)
InChIKey
NPBXBBAUERRGNW-UHFFFAOYSA-N
Compound name
1-(4,6-dimethylpyrimidin-2-yl)-3-propan-2-ylpyrazole-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.12732 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13460 160.7
[M+Na]+ 283.11654 173.1
[M+NH4]+ 278.16114 165.7
[M+K]+ 299.09048 170.8
[M-H]- 259.12004 160.5
[M+Na-2H]- 281.10199 165.6
[M]+ 260.12677 162.1
[M]- 260.12787 162.1
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.