CID 5171195

5,7-dimethyl-3-(p-tolyl)thiazolo(3,2-a)pyrimidin-4-ium perchlorate

Structural Information

Molecular Formula
C15H15N2S
SMILES
CC1=CC=C(C=C1)C2=CSC3=NC(=CC(=[N+]23)C)C
InChI
InChI=1S/C15H15N2S/c1-10-4-6-13(7-5-10)14-9-18-15-16-11(2)8-12(3)17(14)15/h4-9H,1-3H3/q+1
InChIKey
ZEMHNIDZJGMEPE-UHFFFAOYSA-N
Compound name
5,7-dimethyl-3-(4-methylphenyl)-[1,3]thiazolo[3,2-a]pyrimidin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

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References

0
Patents

255.0956 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.10288 152.8
[M+Na]+ 278.08482 172.1
[M+NH4]+ 273.12942 164.3
[M+K]+ 294.05876 163.5
[M-H]- 254.08832 159.9
[M+Na-2H]- 276.07027 163.2
[M]+ 255.09505 158.8
[M]- 255.09615 158.8
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.