CID 2315484

Thiazolo(3,2-a)pyrimidin-4-ium, 3-methoxy-7-methyl-2-phenyl-, perchlorate

Structural Information

Molecular Formula
C14H13N2OS
SMILES
CC1=NC2=[N+](C=C1)C(=C(S2)C3=CC=CC=C3)OC
InChI
InChI=1S/C14H13N2OS/c1-10-8-9-16-13(17-2)12(18-14(16)15-10)11-6-4-3-5-7-11/h3-9H,1-2H3/q+1
InChIKey
GQNOHRGXVKPART-UHFFFAOYSA-N
Compound name
3-methoxy-7-methyl-2-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

257.07486 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.08214 151.4
[M+Na]+ 280.06408 170.1
[M+NH4]+ 275.10868 162.4
[M+K]+ 296.03802 162.0
[M-H]- 256.06758 158.0
[M+Na-2H]- 278.04953 161.9
[M]+ 257.07431 157.1
[M]- 257.07541 157.1
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.