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 172.9
[M+Na]+ 356.09539 193.6
[M+NH4]+ 351.13999 184.1
[M+K]+ 372.06933 183.9
[M-H]- 332.09889 182.2
[M+Na-2H]- 354.08084 185.7
[M]+ 333.10562 179.8
[M]- 333.10672 179.8
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.

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No patent data available for this compound.