CID 6454906

(e)-10-hydroxyamitriptyline

Structural Information

Molecular Formula
C20H23NO
SMILES
CN(C)CC/C=C/1\C2=CC=CC=C2CC(C3=CC=CC=C31)O
InChI
InChI=1S/C20H23NO/c1-21(2)13-7-12-17-16-9-4-3-8-15(16)14-20(22)19-11-6-5-10-18(17)19/h3-6,8-12,20,22H,7,13-14H2,1-2H3/b17-12+
InChIKey
GHWBJXOKAFHZAI-SFQUDFHCSA-N
Compound name
(2E)-2-[3-(dimethylamino)propylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaen-9-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

15
References

22
Patents

293.17798 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.185256 168.6
[M+Na]+ 316.167198 173.9
[M-H]- 292.170704 174.8
[M+NH4]+ 311.211803 185.3
[M+K]+ 332.141138 173.3
[M+H-H2O]+ 276.175240 163.4
[M+HCOO]- 338.176181 187.7
[M+CH3COO]- 352.191831 179.2
[M+Na-2H]- 314.152646 173.1
[M]+ 293.17743142 166.0
[M]- 293.17852858 166.0
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