CID 23573

Talopram hydrochloride

Structural Information

Molecular Formula
C20H25NO
SMILES
CC1(C2=CC=CC=C2C(O1)(CCCNC)C3=CC=CC=C3)C
InChI
InChI=1S/C20H25NO/c1-19(2)17-12-7-8-13-18(17)20(22-19,14-9-15-21-3)16-10-5-4-6-11-16/h4-8,10-13,21H,9,14-15H2,1-3H3
InChIKey
LJBBMCNHIUJBDU-UHFFFAOYSA-N
Compound name
3-(3,3-dimethyl-1-phenyl-2-benzofuran-1-yl)-N-methylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

15
References

732
Patents

295.1936 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.20088 171.1
[M+Na]+ 318.18282 184.5
[M+NH4]+ 313.22742 183.5
[M+K]+ 334.15676 173.6
[M-H]- 294.18632 178.2
[M+Na-2H]- 316.16827 181.2
[M]+ 295.19305 175.6
[M]- 295.19415 175.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe