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 156.1
[M+Na]+ 280.06408 168.3
[M-H]- 256.06758 163.0
[M+NH4]+ 275.10868 174.2
[M+K]+ 296.03802 157.8
[M+H-H2O]+ 240.07212 151.3
[M+HCOO]- 302.07306 175.0
[M+CH3COO]- 316.08871 187.4
[M+Na-2H]- 278.04953 162.6
[M]+ 257.07431 160.8
[M]- 257.07541 160.8
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.