CID 160755

Desmethylnortriptyline

Structural Information

Molecular Formula
C18H19N
SMILES
C1CC2=CC=CC=C2C(=CCCN)C3=CC=CC=C31
InChI
InChI=1S/C18H19N/c19-13-5-10-18-16-8-3-1-6-14(16)11-12-15-7-2-4-9-17(15)18/h1-4,6-10H,5,11-13,19H2
InChIKey
PTQFRALDEONNOA-UHFFFAOYSA-N
Compound name
3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

2
References

51
Patents

249.15175 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.15903 156.8
[M+Na]+ 272.14097 162.5
[M-H]- 248.14447 162.4
[M+NH4]+ 267.18557 174.7
[M+K]+ 288.11491 160.5
[M+H-H2O]+ 232.14901 151.8
[M+HCOO]- 294.14995 176.8
[M+CH3COO]- 308.16560 167.9
[M+Na-2H]- 270.12642 163.1
[M]+ 249.15120 151.5
[M]- 249.15230 151.5
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