CID 2997669

511239-03-5

Structural Information

Molecular Formula
C15H17NO2S
SMILES
COC1=C(C=C2C(NCCC2=C1)C3=CC=CS3)OC
InChI
InChI=1S/C15H17NO2S/c1-17-12-8-10-5-6-16-15(14-4-3-7-19-14)11(10)9-13(12)18-2/h3-4,7-9,15-16H,5-6H2,1-2H3
InChIKey
GLXRHRXCWKOJAR-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-1-thiophen-2-yl-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

275.098 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.10528 161.2
[M+Na]+ 298.08722 169.5
[M-H]- 274.09072 166.4
[M+NH4]+ 293.13182 179.2
[M+K]+ 314.06116 164.8
[M+H-H2O]+ 258.09526 154.7
[M+HCOO]- 320.09620 175.9
[M+CH3COO]- 334.11185 172.8
[M+Na-2H]- 296.07267 162.1
[M]+ 275.09745 162.8
[M]- 275.09855 162.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.