CID 3038669

6-(3-aminophenyl)-2,3,5,6-tetrahydroimidazo(2,1-b)thiazole dihydrochloride

Structural Information

Molecular Formula
C11H13N3S
SMILES
C1CSC2=NC(CN21)C3=CC(=CC=C3)N
InChI
InChI=1S/C11H13N3S/c12-9-3-1-2-8(6-9)10-7-14-4-5-15-11(14)13-10/h1-3,6,10H,4-5,7,12H2
InChIKey
IQGVBROUGQZILV-UHFFFAOYSA-N
Compound name
3-(2,3,5,6-tetrahydroimidazo[2,1-b][1,3]thiazol-6-yl)aniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

40
Patents

219.08302 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.090296 146.2
[M+Na]+ 242.072238 155.5
[M-H]- 218.075744 151.5
[M+NH4]+ 237.116843 167.1
[M+K]+ 258.046178 151.6
[M+H-H2O]+ 202.080280 139.6
[M+HCOO]- 264.081221 163.4
[M+CH3COO]- 278.096871 159.1
[M+Na-2H]- 240.057686 146.8
[M]+ 219.08247142 145.1
[M]- 219.08356858 145.1
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