CID 467099

Schembl7329803

Structural Information

Molecular Formula
C16H14N2OS
SMILES
CC1=C(SC2=NC=C(N12)C(C#CC3=CC=CC=C3)O)C
InChI
InChI=1S/C16H14N2OS/c1-11-12(2)20-16-17-10-14(18(11)16)15(19)9-8-13-6-4-3-5-7-13/h3-7,10,15,19H,1-2H3
InChIKey
DHPBRPLNBSCNIC-UHFFFAOYSA-N
Compound name
1-(2,3-dimethylimidazo[2,1-b][1,3]thiazol-5-yl)-3-phenylprop-2-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

282.08267 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.08995 172.9
[M+Na]+ 305.07189 186.5
[M-H]- 281.07539 175.8
[M+NH4]+ 300.11649 189.2
[M+K]+ 321.04583 178.7
[M+H-H2O]+ 265.07993 159.9
[M+HCOO]- 327.08087 184.1
[M+CH3COO]- 341.09652 183.1
[M+Na-2H]- 303.05734 170.3
[M]+ 282.08212 171.5
[M]- 282.08322 171.5
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

patents stripe