CID 2322426

3-phenyl-thiazolo(3,2-a)pyrimidin-4-ylium, perchlorate

Structural Information

Molecular Formula
C12H9N2S
SMILES
C1=CC=C(C=C1)C2=CSC3=NC=CC=[N+]23
InChI
InChI=1S/C12H9N2S/c1-2-5-10(6-3-1)11-9-15-12-13-7-4-8-14(11)12/h1-9H/q+1
InChIKey
YHRXNWXNNMUMCU-UHFFFAOYSA-N
Compound name
3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

213.04865 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.05593 142.8
[M+Na]+ 236.03787 154.4
[M-H]- 212.04137 149.3
[M+NH4]+ 231.08247 162.2
[M+K]+ 252.01181 144.0
[M+H-H2O]+ 196.04591 138.2
[M+HCOO]- 258.04685 162.3
[M+CH3COO]- 272.06250 156.7
[M+Na-2H]- 234.02332 151.6
[M]+ 213.04810 144.7
[M]- 213.04920 144.7
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.