CID 3312672

3-(imidazo[2,1-b][1,3]thiazol-6-yl)aniline

Structural Information

Molecular Formula
C11H9N3S
SMILES
C1=CC(=CC(=C1)N)C2=CN3C=CSC3=N2
InChI
InChI=1S/C11H9N3S/c12-9-3-1-2-8(6-9)10-7-14-4-5-15-11(14)13-10/h1-7H,12H2
InChIKey
ASXLSRKDSOSGQE-UHFFFAOYSA-N
Compound name
3-imidazo[2,1-b][1,3]thiazol-6-ylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

215.05171 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.05899 142.9
[M+Na]+ 238.04093 155.5
[M-H]- 214.04443 149.6
[M+NH4]+ 233.08553 164.3
[M+K]+ 254.01487 150.8
[M+H-H2O]+ 198.04897 136.5
[M+HCOO]- 260.04991 164.4
[M+CH3COO]- 274.06556 157.5
[M+Na-2H]- 236.02638 146.3
[M]+ 215.05116 146.0
[M]- 215.05226 146.0
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