CID 723182

Thiazolo(3,2-a)pyrimidin-4-ium, 5,7-dimethyl-3-methoxy-2-phenyl, perchlorate

Structural Information

Molecular Formula
C15H15N2OS
SMILES
CC1=CC(=[N+]2C(=C(SC2=N1)C3=CC=CC=C3)OC)C
InChI
InChI=1S/C15H15N2OS/c1-10-9-11(2)17-14(18-3)13(19-15(17)16-10)12-7-5-4-6-8-12/h4-9H,1-3H3/q+1
InChIKey
SOEYZPAQBVBQRJ-UHFFFAOYSA-N
Compound name
3-methoxy-5,7-dimethyl-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

271.0905 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09778 160.7
[M+Na]+ 294.07972 173.2
[M-H]- 270.08322 167.8
[M+NH4]+ 289.12432 178.5
[M+K]+ 310.05366 162.5
[M+H-H2O]+ 254.08776 155.9
[M+HCOO]- 316.08870 179.2
[M+CH3COO]- 330.10435 191.4
[M+Na-2H]- 292.06517 166.0
[M]+ 271.08995 166.1
[M]- 271.09105 166.1
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.