CID 71935

Cotriptyline

Structural Information

Molecular Formula
C20H21NO
SMILES
CN(C)CC(=O)C=C1C2=CC=CC=C2CCC3=CC=CC=C31
InChI
InChI=1S/C20H21NO/c1-21(2)14-17(22)13-20-18-9-5-3-7-15(18)11-12-16-8-4-6-10-19(16)20/h3-10,13H,11-12,14H2,1-2H3
InChIKey
DRNINDKQWDOFMO-UHFFFAOYSA-N
Compound name
1-(dimethylamino)-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

54
Patents

291.16232 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.16960 167.0
[M+Na]+ 314.15154 171.9
[M-H]- 290.15504 174.3
[M+NH4]+ 309.19614 184.0
[M+K]+ 330.12548 171.7
[M+H-H2O]+ 274.15958 161.6
[M+HCOO]- 336.16052 186.8
[M+CH3COO]- 350.17617 210.9
[M+Na-2H]- 312.13699 171.5
[M]+ 291.16177 164.5
[M]- 291.16287 164.5
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