CID 3070922

2,7-diphenyl-3-methoxy-5-methylthiazolo(3,2-a)pyrimidin-4-ium perchlorate

Structural Information

Molecular Formula
C20H17N2OS
SMILES
CC1=CC(=NC2=[N+]1C(=C(S2)C3=CC=CC=C3)OC)C4=CC=CC=C4
InChI
InChI=1S/C20H17N2OS/c1-14-13-17(15-9-5-3-6-10-15)21-20-22(14)19(23-2)18(24-20)16-11-7-4-8-12-16/h3-13H,1-2H3/q+1
InChIKey
RSHVFYDENUOKKI-UHFFFAOYSA-N
Compound name
3-methoxy-5-methyl-2,7-diphenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.10617 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.11345 180.3
[M+Na]+ 356.09539 191.8
[M-H]- 332.09889 190.0
[M+NH4]+ 351.13999 194.8
[M+K]+ 372.06933 179.4
[M+H-H2O]+ 316.10343 173.7
[M+HCOO]- 378.10437 198.3
[M+CH3COO]- 392.12002 192.0
[M+Na-2H]- 354.08084 185.1
[M]+ 333.10562 184.6
[M]- 333.10672 184.6
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.