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

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	276.105276	161.2
[M+Na]+	298.087218	169.5
[M-H]-	274.090724	166.4
[M+NH4]+	293.131823	179.2
[M+K]+	314.061158	164.8
[M+H-H2O]+	258.095260	154.7
[M+HCOO]-	320.096201	175.9
[M+CH3COO]-	334.111851	172.8
[M+Na-2H]-	296.072666	162.1
[M]+	275.09745142	162.8
[M]-	275.09854858	162.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.