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 163.0
[M+Na]+ 295.12392 169.1
[M-H]- 271.12742 168.0
[M+NH4]+ 290.16852 181.3
[M+K]+ 311.09786 167.6
[M+H-H2O]+ 255.13196 157.0
[M+HCOO]- 317.13290 178.6
[M+CH3COO]- 331.14855 173.7
[M+Na-2H]- 293.10937 165.7
[M]+ 272.13415 162.1
[M]- 272.13525 162.1
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.