CID 4433587

7-methyl-5-phenylthiazolo(3,2-a)pyrimidin-4-ium perchlorate

Structural Information

Molecular Formula
C13H11N2S
SMILES
CC1=CC(=[N+]2C=CSC2=N1)C3=CC=CC=C3
InChI
InChI=1S/C13H11N2S/c1-10-9-12(11-5-3-2-4-6-11)15-7-8-16-13(15)14-10/h2-9H,1H3/q+1
InChIKey
SBWRNKYKPOFAII-UHFFFAOYSA-N
Compound name
7-methyl-5-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

227.0643 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.07158 142.7
[M+Na]+ 250.05352 161.7
[M+NH4]+ 245.09812 154.4
[M+K]+ 266.02746 153.2
[M-H]- 226.05702 149.7
[M+Na-2H]- 248.03897 154.1
[M]+ 227.06375 148.5
[M]- 227.06485 148.5
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.

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No patent data available for this compound.