CID 3059699

Imidazo(2,1-b)thiazole, 5,6-dihydro-6,6-dimethyl-3-phenyl-, hydrobromide

Structural Information

Molecular Formula
C13H14N2S
SMILES
CC1(CN2C(=CSC2=N1)C3=CC=CC=C3)C
InChI
InChI=1S/C13H14N2S/c1-13(2)9-15-11(8-16-12(15)14-13)10-6-4-3-5-7-10/h3-8H,9H2,1-2H3
InChIKey
HKKQVHLBHDWXSV-UHFFFAOYSA-N
Compound name
6,6-dimethyl-3-phenyl-5H-imidazo[2,1-b][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

230.08777 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.095046 150.3
[M+Na]+ 253.076988 161.7
[M-H]- 229.080494 156.7
[M+NH4]+ 248.121593 173.6
[M+K]+ 269.050928 157.7
[M+H-H2O]+ 213.085030 144.2
[M+HCOO]- 275.085971 168.0
[M+CH3COO]- 289.101621 164.1
[M+Na-2H]- 251.062436 152.1
[M]+ 230.08722142 153.2
[M]- 230.08831858 153.2
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

No patent data available for this compound.