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

45505
Patents

263.1674 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.174676 160.9
[M+Na]+ 286.156618 166.2
[M-H]- 262.160124 166.9
[M+NH4]+ 281.201223 178.6
[M+K]+ 302.130558 164.2
[M+H-H2O]+ 246.164660 155.8
[M+HCOO]- 308.165601 181.2
[M+CH3COO]- 322.181251 171.9
[M+Na-2H]- 284.142066 167.6
[M]+ 263.16685142 156.8
[M]- 263.16794858 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

literature stripe

Patent stripe

patents stripe