CID 4543

Nortriptyline

Structural Information

Molecular Formula
C19H21N
SMILES
CNCCC=C1C2=CC=CC=C2CCC3=CC=CC=C31
InChI
InChI=1S/C19H21N/c1-20-14-6-11-19-17-9-4-2-7-15(17)12-13-16-8-3-5-10-18(16)19/h2-5,7-11,20H,6,12-14H2,1H3
InChIKey
PHVGLTMQBUFIQQ-UHFFFAOYSA-N
Compound name
N-methyl-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
9
Annotation Hits

2385
References

45155
Patents

263.1674 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17468 160.9
[M+Na]+ 286.15662 166.2
[M-H]- 262.16012 166.9
[M+NH4]+ 281.20122 178.6
[M+K]+ 302.13056 164.2
[M+H-H2O]+ 246.16466 155.8
[M+HCOO]- 308.16560 181.2
[M+CH3COO]- 322.18125 171.9
[M+Na-2H]- 284.14207 167.6
[M]+ 263.16685 156.8
[M]- 263.16795 156.8
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.