CID 684820

23224-09-1

Structural Information

Molecular Formula
C12H12N2S
SMILES
CC1=CC=C(C=C1)C2=CSC3=NCCN23
InChI
InChI=1S/C12H12N2S/c1-9-2-4-10(5-3-9)11-8-15-12-13-6-7-14(11)12/h2-5,8H,6-7H2,1H3
InChIKey
ZSLGTNCOVGLOAD-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)-5,6-dihydroimidazo[2,1-b][1,3]thiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

8
Patents

216.07211 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 217.079386 146.6
[M+Na]+ 239.061328 157.6
[M-H]- 215.064834 152.8
[M+NH4]+ 234.105933 168.4
[M+K]+ 255.035268 153.7
[M+H-H2O]+ 199.069370 140.3
[M+HCOO]- 261.070311 164.6
[M+CH3COO]- 275.085961 160.4
[M+Na-2H]- 237.046776 147.6
[M]+ 216.07156142 148.8
[M]- 216.07265858 148.8
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