CID 216990

10-oxo-4-(gamma-dimethylaminopropyl)-9,10-dihydro-(4h)-thieno-(3,2-b)(f)-benzazepine fumarate

Structural Information

Molecular Formula
C17H20N2OS
SMILES
CN(C)CCCN1C2=C(C(=O)CC3=CC=CC=C31)SC=C2
InChI
InChI=1S/C17H20N2OS/c1-18(2)9-5-10-19-14-7-4-3-6-13(14)12-16(20)17-15(19)8-11-21-17/h3-4,6-8,11H,5,9-10,12H2,1-2H3
InChIKey
IJVXUIHNSXNPKF-UHFFFAOYSA-N
Compound name
10-[3-(dimethylamino)propyl]-5H-thieno[3,2-b][1]benzazepin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.12964 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.13692 170.5
[M+Na]+ 323.11886 177.1
[M-H]- 299.12236 177.1
[M+NH4]+ 318.16346 188.4
[M+K]+ 339.09280 176.8
[M+H-H2O]+ 283.12690 164.4
[M+HCOO]- 345.12784 186.4
[M+CH3COO]- 359.14349 181.5
[M+Na-2H]- 321.10431 171.6
[M]+ 300.12909 172.1
[M]- 300.13019 172.1
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.