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

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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.

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No literature data available for this compound.

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No patent data available for this compound.