CID 23573

Talopram

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
4
Annotation Hits

15
References

679
Patents

295.1936 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.200876 171.2
[M+Na]+ 318.182818 178.8
[M-H]- 294.186324 179.4
[M+NH4]+ 313.227423 191.9
[M+K]+ 334.156758 174.8
[M+H-H2O]+ 278.190860 164.1
[M+HCOO]- 340.191801 193.1
[M+CH3COO]- 354.207451 183.3
[M+Na-2H]- 316.168266 177.3
[M]+ 295.19305142 173.2
[M]- 295.19414858 173.2
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