CID 6428581

Amitriptyline m(ho)

Structural Information

Molecular Formula
C20H23NO
SMILES
CN(C)CC/C=C/1\C2=C(CCC3=CC=CC=C31)C=C(C=C2)O
InChI
InChI=1S/C20H23NO/c1-21(2)13-5-8-20-18-7-4-3-6-15(18)9-10-16-14-17(22)11-12-19(16)20/h3-4,6-8,11-12,14,22H,5,9-10,13H2,1-2H3/b20-8-
InChIKey
ZKUFJLAUUTUSLH-ZBKNUEDVSA-N
Compound name
(2Z)-2-[3-(dimethylamino)propylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-6-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

293.17798 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.18526 168.6
[M+Na]+ 316.16720 173.9
[M-H]- 292.17070 174.8
[M+NH4]+ 311.21180 185.3
[M+K]+ 332.14114 173.3
[M+H-H2O]+ 276.17524 163.4
[M+HCOO]- 338.17618 187.7
[M+CH3COO]- 352.19183 179.2
[M+Na-2H]- 314.15265 173.1
[M]+ 293.17743 166.0
[M]- 293.17853 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