CID 216995

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

Structural Information

Molecular Formula
C17H22N2S
SMILES
CN(C)CCCN1C2=C(CCC3=CC=CC=C31)SC=C2
InChI
InChI=1S/C17H22N2S/c1-18(2)11-5-12-19-15-7-4-3-6-14(15)8-9-17-16(19)10-13-20-17/h3-4,6-7,10,13H,5,8-9,11-12H2,1-2H3
InChIKey
KRTRBFCNBOZPRF-UHFFFAOYSA-N
Compound name
3-(4,5-dihydrothieno[3,2-b][1]benzazepin-10-yl)-N,N-dimethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

286.15036 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.15764 167.5
[M+Na]+ 309.13958 173.3
[M-H]- 285.14308 173.8
[M+NH4]+ 304.18418 185.9
[M+K]+ 325.11352 172.8
[M+H-H2O]+ 269.14762 161.3
[M+HCOO]- 331.14856 183.2
[M+CH3COO]- 345.16421 178.4
[M+Na-2H]- 307.12503 169.1
[M]+ 286.14981 168.1
[M]- 286.15091 168.1
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

patents stripe