CID 467106

Schembl7328588

Structural Information

Molecular Formula
C16H18N2OS
SMILES
CC1=CSC2=NC=C(N12)C(C)(CCC3=CC=CC=C3)O
InChI
InChI=1S/C16H18N2OS/c1-12-11-20-15-17-10-14(18(12)15)16(2,19)9-8-13-6-4-3-5-7-13/h3-7,10-11,19H,8-9H2,1-2H3
InChIKey
ACWWGATWKODROA-UHFFFAOYSA-N
Compound name
2-(3-methylimidazo[2,1-b][1,3]thiazol-5-yl)-4-phenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

286.11398 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.12126 168.1
[M+Na]+ 309.10320 178.9
[M-H]- 285.10670 173.4
[M+NH4]+ 304.14780 186.6
[M+K]+ 325.07714 173.8
[M+H-H2O]+ 269.11124 162.0
[M+HCOO]- 331.11218 184.7
[M+CH3COO]- 345.12783 180.4
[M+Na-2H]- 307.08865 169.7
[M]+ 286.11343 173.5
[M]- 286.11453 173.5
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