CID 3071427

2-(hydroxymethyl)-6-methyl-4-p-tolyl-4,5,6,7-tetrahydrothieno(2,3-d)pyridine hydrochloride

Structural Information

Molecular Formula

C₁₆H₁₉NOS

SMILES

CC1=CC=C(C=C1)C2CN(CC3=C2C=C(S3)CO)C

InChI

InChI=1S/C16H19NOS/c1-11-3-5-12(6-4-11)15-8-17(2)9-16-14(15)7-13(10-18)19-16/h3-7,15,18H,8-10H2,1-2H3

InChIKey

MVYKGQMMYKOAQO-UHFFFAOYSA-N

Compound name

[6-methyl-4-(4-methylphenyl)-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 9
Patents: 273.11874 Da
Monoisotopic Mass: 2.5
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]+	274.126016	162.4
[M+Na]+	296.107958	171.3
[M-H]-	272.111464	167.8
[M+NH4]+	291.152563	180.8
[M+K]+	312.081898	165.7
[M+H-H2O]+	256.116000	156.0
[M+HCOO]-	318.116941	176.4
[M+CH3COO]-	332.132591	174.1
[M+Na-2H]-	294.093406	161.9
[M]+	273.11819142	163.3
[M]-	273.11928858	163.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe