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

0
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 156.6
[M+Na]+ 278.08482 169.5
[M-H]- 254.08832 163.7
[M+NH4]+ 273.12942 175.2
[M+K]+ 294.05876 158.2
[M+H-H2O]+ 238.09286 152.1
[M+HCOO]- 300.09380 175.0
[M+CH3COO]- 314.10945 189.5
[M+Na-2H]- 276.07027 161.9
[M]+ 255.09505 160.7
[M]- 255.09615 160.7
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.