CID 71644

Damotepine hydrochloride

Structural Information

Molecular Formula
C17H17NS
SMILES
CN(C)CC1=CC2=CC=CC=C2SC3=CC=CC=C31
InChI
InChI=1S/C17H17NS/c1-18(2)12-14-11-13-7-3-5-9-16(13)19-17-10-6-4-8-15(14)17/h3-11H,12H2,1-2H3
InChIKey
BRCYAOFSVFIBPV-UHFFFAOYSA-N
Compound name
1-benzo[b][1]benzothiepin-5-yl-N,N-dimethylmethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

267.1082 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11548 158.1
[M+Na]+ 290.09742 171.1
[M+NH4]+ 285.14202 168.5
[M+K]+ 306.07136 161.7
[M-H]- 266.10092 163.7
[M+Na-2H]- 288.08287 166.2
[M]+ 267.10765 162.3
[M]- 267.10875 162.3
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