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 160.6
[M+Na]+ 283.11654 171.7
[M-H]- 259.12004 162.3
[M+NH4]+ 278.16114 174.0
[M+K]+ 299.09048 167.6
[M+H-H2O]+ 243.12458 151.9
[M+HCOO]- 305.12552 178.8
[M+CH3COO]- 319.14117 197.5
[M+Na-2H]- 281.10199 161.2
[M]+ 260.12677 163.9
[M]- 260.12787 163.9
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.