CID 3045345

2,3-diphenyl-3-methoxythiazolo(3,2-a)pyrimidin-4-ium perchlorate

Structural Information

Molecular Formula
C19H17N2OS
SMILES
COC1(C(SC2=NC=CC=[N+]21)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C19H17N2OS/c1-22-19(16-11-6-3-7-12-16)17(15-9-4-2-5-10-15)23-18-20-13-8-14-21(18)19/h2-14,17H,1H3/q+1
InChIKey
OMZNECMRAGCPJZ-UHFFFAOYSA-N
Compound name
3-methoxy-2,3-diphenyl-2H-[1,3]thiazolo[3,2-a]pyrimidin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.10617 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.11345 176.3
[M+Na]+ 344.09539 185.5
[M-H]- 320.09889 185.0
[M+NH4]+ 339.13999 192.6
[M+K]+ 360.06933 174.1
[M+H-H2O]+ 304.10343 169.5
[M+HCOO]- 366.10437 192.1
[M+CH3COO]- 380.12002 187.3
[M+Na-2H]- 342.08084 182.4
[M]+ 321.10562 177.2
[M]- 321.10672 177.2
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.