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

0
Patents

286.15036 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.157636 167.5
[M+Na]+ 309.139578 173.3
[M-H]- 285.143084 173.8
[M+NH4]+ 304.184183 185.9
[M+K]+ 325.113518 172.8
[M+H-H2O]+ 269.147620 161.3
[M+HCOO]- 331.148561 183.2
[M+CH3COO]- 345.164211 178.4
[M+Na-2H]- 307.125026 169.1
[M]+ 286.14981142 168.1
[M]- 286.15090858 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