CID 457214

[2-(4-dimethylaminophenyl)-2,3-dihydrobenzothiophen-3-yl]methanol

Structural Information

Molecular Formula
C17H19NOS
SMILES
CN(C)C1=CC=C(C=C1)C2C(C3=CC=CC=C3S2)CO
InChI
InChI=1S/C17H19NOS/c1-18(2)13-9-7-12(8-10-13)17-15(11-19)14-5-3-4-6-16(14)20-17/h3-10,15,17,19H,11H2,1-2H3
InChIKey
RMFOZAUWVBJGDW-UHFFFAOYSA-N
Compound name
[2-[4-(dimethylamino)phenyl]-2,3-dihydro-1-benzothiophen-3-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.11874 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.12602 165.2
[M+Na]+ 308.10796 172.9
[M-H]- 284.11146 173.2
[M+NH4]+ 303.15256 184.5
[M+K]+ 324.08190 168.3
[M+H-H2O]+ 268.11600 158.7
[M+HCOO]- 330.11694 183.0
[M+CH3COO]- 344.13259 177.3
[M+Na-2H]- 306.09341 166.0
[M]+ 285.11819 167.5
[M]- 285.11929 167.5
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.