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]+ 261.13460 160.1
[M+Na]+ 283.11654 170.0
[M-H]- 259.12004 161.5
[M+NH4]+ 278.16114 173.1
[M+K]+ 299.09048 166.4
[M+H-H2O]+ 243.12458 151.3
[M+HCOO]- 305.12552 177.4
[M+CH3COO]- 319.14117 197.2
[M+Na-2H]- 281.10199 160.4
[M]+ 260.12677 162.4
[M]- 260.12787 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.