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]+ 247.126336 155.0
[M+Na]+ 269.108278 161.5
[M-H]- 245.111784 161.9
[M+NH4]+ 264.152883 174.9
[M+K]+ 285.082218 157.3
[M+H-H2O]+ 229.116320 147.6
[M+HCOO]- 291.117261 170.9
[M+CH3COO]- 305.132911 166.8
[M+Na-2H]- 267.093726 156.2
[M]+ 246.11851142 152.3
[M]- 246.11960858 152.3
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.