CID 71397

Intriptyline

Structural Information

Molecular Formula
C21H19N
SMILES
CN(C)CC#CC=C1C2=CC=CC=C2C=CC3=CC=CC=C31
InChI
InChI=1S/C21H19N/c1-22(2)16-8-7-13-21-19-11-5-3-9-17(19)14-15-18-10-4-6-12-20(18)21/h3-6,9-15H,16H2,1-2H3
InChIKey
OKCODFSHDQKCQN-UHFFFAOYSA-N
Compound name
N,N-dimethyl-4-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenylidene)but-2-yn-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

377
Patents

285.15176 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.15904 173.7
[M+Na]+ 308.14098 183.0
[M-H]- 284.14448 178.8
[M+NH4]+ 303.18558 189.2
[M+K]+ 324.11492 177.1
[M+H-H2O]+ 268.14902 162.8
[M+HCOO]- 330.14996 189.6
[M+CH3COO]- 344.16561 183.0
[M+Na-2H]- 306.12643 177.7
[M]+ 285.15121 166.9
[M]- 285.15231 166.9
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

No patent data available for this compound.