CID 3051098

3h-thiazolo(3,4-a)pyridine, octahydro-3-methylimino-1-phenyl-, (e)-

Structural Information

Molecular Formula
C14H18N2S
SMILES
CN=C1N2CCCC[C@@H]2[C@H](S1)C3=CC=CC=C3
InChI
InChI=1S/C14H18N2S/c1-15-14-16-10-6-5-9-12(16)13(17-14)11-7-3-2-4-8-11/h2-4,7-8,12-13H,5-6,9-10H2,1H3/t12-,13-/m1/s1
InChIKey
KLHLLGKKUCDJBE-CHWSQXEVSA-N
Compound name
(1R,8aR)-N-methyl-1-phenyl-1,5,6,7,8,8a-hexahydro-[1,3]thiazolo[3,4-a]pyridin-3-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

246.11906 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.12634 155.3
[M+Na]+ 269.10828 167.0
[M+NH4]+ 264.15288 165.9
[M+K]+ 285.08222 158.4
[M-H]- 245.11178 160.9
[M+Na-2H]- 267.09373 161.7
[M]+ 246.11851 159.0
[M]- 246.11961 159.0
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.