CID 209393

4-(3-dimethylaminopropoxymethyl)dibenzothiophene hydrochloride

Structural Information

Molecular Formula
C18H21NOS
SMILES
CN(C)CCCOCC1=C2C(=CC=C1)C3=CC=CC=C3S2
InChI
InChI=1S/C18H21NOS/c1-19(2)11-6-12-20-13-14-7-5-9-16-15-8-3-4-10-17(15)21-18(14)16/h3-5,7-10H,6,11-13H2,1-2H3
InChIKey
WQQHXLARIIRVFL-UHFFFAOYSA-N
Compound name
3-(dibenzothiophen-4-ylmethoxy)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

299.1344 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.14168 169.7
[M+Na]+ 322.12362 178.4
[M-H]- 298.12712 176.6
[M+NH4]+ 317.16822 190.2
[M+K]+ 338.09756 174.1
[M+H-H2O]+ 282.13166 162.9
[M+HCOO]- 344.13260 189.8
[M+CH3COO]- 358.14825 182.2
[M+Na-2H]- 320.10907 173.4
[M]+ 299.13385 177.7
[M]- 299.13495 177.7
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.