CID 3074011

Pyrimidine, 4-(3,5-dimethyl-1h-pyrazol-1-yl)-6-methyl-2-((1-methylethyl)thio)-

Structural Information

Molecular Formula
C13H18N4S
SMILES
CC1=CC(=NC(=N1)SC(C)C)N2C(=CC(=N2)C)C
InChI
InChI=1S/C13H18N4S/c1-8(2)18-13-14-9(3)7-12(15-13)17-11(5)6-10(4)16-17/h6-8H,1-5H3
InChIKey
RTCFPQSRGOFSHW-UHFFFAOYSA-N
Compound name
4-(3,5-dimethylpyrazol-1-yl)-6-methyl-2-propan-2-ylsulfanylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
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References

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Patents

262.1252 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.13248 162.4
[M+Na]+ 285.11442 176.3
[M+NH4]+ 280.15902 169.8
[M+K]+ 301.08836 169.5
[M-H]- 261.11792 164.5
[M+Na-2H]- 283.09987 168.3
[M]+ 262.12465 165.5
[M]- 262.12575 165.5
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 patent data available for this compound.