CID 6474783

(e)-1-(2,3-dimethylimidazo[2,1-b]thiazol-5-yl)-3-(2-furyl)prop-2-en-1-ol

Structural Information

Molecular Formula
C14H14N2O2S
SMILES
CC1=C(SC2=NC=C(N12)C(/C=C/C3=CC=CO3)O)C
InChI
InChI=1S/C14H14N2O2S/c1-9-10(2)19-14-15-8-12(16(9)14)13(17)6-5-11-4-3-7-18-11/h3-8,13,17H,1-2H3/b6-5+
InChIKey
NZCMWFZGPGAKJQ-AATRIKPKSA-N
Compound name
(E)-1-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-(furan-2-yl)prop-2-en-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.0776 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.08488 162.3
[M+Na]+ 297.06682 175.4
[M-H]- 273.07032 169.7
[M+NH4]+ 292.11142 182.1
[M+K]+ 313.04076 172.4
[M+H-H2O]+ 257.07486 157.8
[M+HCOO]- 319.07580 181.9
[M+CH3COO]- 333.09145 176.4
[M+Na-2H]- 295.05227 161.0
[M]+ 274.07705 170.9
[M]- 274.07815 170.9
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.