CID 206755

28666-89-9

Structural Information

Molecular Formula
C14H13N2S
SMILES
CC1=CC(=[N+]2C(=CSC2=N1)C3=CC=CC=C3)C
InChI
InChI=1S/C14H13N2S/c1-10-8-11(2)16-13(9-17-14(16)15-10)12-6-4-3-5-7-12/h3-9H,1-2H3/q+1
InChIKey
ZBHYRSZMJSZJIM-UHFFFAOYSA-N
Compound name
5,7-dimethyl-3-phenyl-[1,3]thiazolo[3,2-a]pyrimidin-4-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

241.07994 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.08722 152.1
[M+Na]+ 264.06916 164.6
[M-H]- 240.07266 159.0
[M+NH4]+ 259.11376 171.0
[M+K]+ 280.04310 153.6
[M+H-H2O]+ 224.07720 147.5
[M+HCOO]- 286.07814 170.8
[M+CH3COO]- 300.09379 185.4
[M+Na-2H]- 262.05461 158.5
[M]+ 241.07939 155.5
[M]- 241.08049 155.5
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.