CID 334404

Nsc339503

Structural Information

Molecular Formula
C13H14N2OS
SMILES
C1=CC=C(C=C1)C2=CN3C=CSC3N2CCO
InChI
InChI=1S/C13H14N2OS/c16-8-6-15-12(11-4-2-1-3-5-11)10-14-7-9-17-13(14)15/h1-5,7,9-10,13,16H,6,8H2
InChIKey
RIBYTXAWFQRBLB-UHFFFAOYSA-N
Compound name
2-(6-phenyl-7aH-imidazo[2,1-b][1,3]thiazol-7-yl)ethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.08269 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.08997 154.3
[M+Na]+ 269.07191 164.1
[M-H]- 245.07541 158.9
[M+NH4]+ 264.11651 174.1
[M+K]+ 285.04585 159.6
[M+H-H2O]+ 229.07995 148.0
[M+HCOO]- 291.08089 170.7
[M+CH3COO]- 305.09654 166.8
[M+Na-2H]- 267.05736 154.6
[M]+ 246.08214 156.4
[M]- 246.08324 156.4
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.