CID 62085597

5-(3,5-dimethyl-1h-pyrazol-1-yl)-2-(propan-2-yl)pyrimidine-4-carboxylic acid

Structural Information

Molecular Formula
C13H16N4O2
SMILES
CC1=CC(=NN1C2=CN=C(N=C2C(=O)O)C(C)C)C
InChI
InChI=1S/C13H16N4O2/c1-7(2)12-14-6-10(11(15-12)13(18)19)17-9(4)5-8(3)16-17/h5-7H,1-4H3,(H,18,19)
InChIKey
FHKXNXXELSHYMN-UHFFFAOYSA-N
Compound name
5-(3,5-dimethylpyrazol-1-yl)-2-propan-2-ylpyrimidine-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]+ 261.134596 160.1
[M+Na]+ 283.116538 170.0
[M-H]- 259.120044 161.5
[M+NH4]+ 278.161143 173.1
[M+K]+ 299.090478 166.4
[M+H-H2O]+ 243.124580 151.3
[M+HCOO]- 305.125521 177.4
[M+CH3COO]- 319.141171 197.2
[M+Na-2H]- 281.101986 160.4
[M]+ 260.12677142 162.4
[M]- 260.12786858 162.4
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.