CID 6474776

Schembl7338814

Structural Information

Molecular Formula
C16H16N2OS
SMILES
CC1=CSC2=NC=C(N12)C(C)(/C=C/C3=CC=CC=C3)O
InChI
InChI=1S/C16H16N2OS/c1-12-11-20-15-17-10-14(18(12)15)16(2,19)9-8-13-6-4-3-5-7-13/h3-11,19H,1-2H3/b9-8+
InChIKey
JCGQEQRCEWSXDH-CMDGGOBGSA-N
Compound name
(E)-2-(3-methylimidazo[2,1-b][1,3]thiazol-5-yl)-4-phenylbut-3-en-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

284.09833 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.10561 168.1
[M+Na]+ 307.08755 179.2
[M-H]- 283.09105 173.4
[M+NH4]+ 302.13215 186.6
[M+K]+ 323.06149 173.5
[M+H-H2O]+ 267.09559 162.0
[M+HCOO]- 329.09653 184.8
[M+CH3COO]- 343.11218 180.4
[M+Na-2H]- 305.07300 169.5
[M]+ 284.09778 172.7
[M]- 284.09888 172.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.