CID 3074012

4-(1-(5-hydroxy-3,5-dimethylpyrazolinyl-2))-2-isopropylthio-6-methylpyrimidine

Structural Information

Molecular Formula
C13H20N4OS
SMILES
CC1=NN(C(C1)(C)O)C2=NC(=NC(=C2)C)SC(C)C
InChI
InChI=1S/C13H20N4OS/c1-8(2)19-12-14-9(3)6-11(15-12)17-13(5,18)7-10(4)16-17/h6,8,18H,7H2,1-5H3
InChIKey
XAMXUQFIVDTABX-UHFFFAOYSA-N
Compound name
3,5-dimethyl-2-(6-methyl-2-propan-2-ylsulfanylpyrimidin-4-yl)-4H-pyrazol-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.13577 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.14305 165.8
[M+Na]+ 303.12499 177.8
[M+NH4]+ 298.16959 173.6
[M+K]+ 319.09893 170.6
[M-H]- 279.12849 166.6
[M+Na-2H]- 301.11044 171.6
[M]+ 280.13522 168.3
[M]- 280.13632 168.3
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.