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
5
Annotation Hits

0
References

47
Patents

291.16232 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.169596 167.0
[M+Na]+ 314.151538 171.9
[M-H]- 290.155044 174.3
[M+NH4]+ 309.196143 184.0
[M+K]+ 330.125478 171.7
[M+H-H2O]+ 274.159580 161.6
[M+HCOO]- 336.160521 186.8
[M+CH3COO]- 350.176171 210.9
[M+Na-2H]- 312.136986 171.5
[M]+ 291.16177142 164.5
[M]- 291.16286858 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