CID 197875

7h-imidazo(2,1-b)thiazol-4-ium, 5,6-dihydro-3-phenyl-, chloride

Structural Information

Molecular Formula
C11H10N2S
SMILES
C1CN2C(=CSC2=N1)C3=CC=CC=C3
InChI
InChI=1S/C11H10N2S/c1-2-4-9(5-3-1)10-8-14-11-12-6-7-13(10)11/h1-5,8H,6-7H2
InChIKey
OZNXXVWKDIUAJB-UHFFFAOYSA-N
Compound name
3-phenyl-5,6-dihydroimidazo[2,1-b][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

202.05647 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.06375 141.9
[M+Na]+ 225.04569 152.5
[M-H]- 201.04919 148.0
[M+NH4]+ 220.09029 164.0
[M+K]+ 241.01963 148.9
[M+H-H2O]+ 185.05373 135.5
[M+HCOO]- 247.05467 160.3
[M+CH3COO]- 261.07032 155.9
[M+Na-2H]- 223.03114 144.1
[M]+ 202.05592 143.4
[M]- 202.05702 143.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe