CID 16776719

2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethyl-1h-pyrazol-4-yl]acetic acid

Structural Information

Molecular Formula
C13H16N4O2
SMILES
CC1=CC(=NC(=N1)N2C(=C(C(=N2)C)CC(=O)O)C)C
InChI
InChI=1S/C13H16N4O2/c1-7-5-8(2)15-13(14-7)17-10(4)11(6-12(18)19)9(3)16-17/h5H,6H2,1-4H3,(H,18,19)
InChIKey
QOIUFWBNBTVFLB-UHFFFAOYSA-N
Compound name
2-[1-(4,6-dimethylpyrimidin-2-yl)-3,5-dimethylpyrazol-4-yl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

260.12732 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.13460 161.6
[M+Na]+ 283.11654 174.8
[M+NH4]+ 278.16114 166.8
[M+K]+ 299.09048 171.8
[M-H]- 259.12004 161.7
[M+Na-2H]- 281.10199 166.5
[M]+ 260.12677 163.3
[M]- 260.12787 163.3
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.