CID 216994

9,10-dihydro-n-methyl-4h-thieno(3,2-b)(1)benzazepine-4-propanamine monohydrochloride

Structural Information

Molecular Formula
C16H20N2S
SMILES
CNCCCN1C2=C(CCC3=CC=CC=C31)SC=C2
InChI
InChI=1S/C16H20N2S/c1-17-10-4-11-18-14-6-3-2-5-13(14)7-8-16-15(18)9-12-19-16/h2-3,5-6,9,12,17H,4,7-8,10-11H2,1H3
InChIKey
OUIPJVCXUCQIJR-UHFFFAOYSA-N
Compound name
3-(4,5-dihydrothieno[3,2-b][1]benzazepin-10-yl)-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.1347 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.14198 161.3
[M+Na]+ 295.12392 171.3
[M+NH4]+ 290.16852 170.5
[M+K]+ 311.09786 164.2
[M-H]- 271.12742 164.7
[M+Na-2H]- 293.10937 166.2
[M]+ 272.13415 164.2
[M]- 272.13525 164.2
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.