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

5
Patents

273.11874 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.12602 162.4
[M+Na]+ 296.10796 171.3
[M-H]- 272.11146 167.8
[M+NH4]+ 291.15256 180.8
[M+K]+ 312.08190 165.7
[M+H-H2O]+ 256.11600 156.0
[M+HCOO]- 318.11694 176.4
[M+CH3COO]- 332.13259 174.1
[M+Na-2H]- 294.09341 161.9
[M]+ 273.11819 163.3
[M]- 273.11929 163.3
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

patents stripe