CID 4976

Protriptyline

Structural Information

Molecular Formula
C19H21N
SMILES
CNCCCC1C2=CC=CC=C2C=CC3=CC=CC=C13
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/h2-5,7-10,12-13,19-20H,6,11,14H2,1H3
InChIKey
BWPIARFWQZKAIA-UHFFFAOYSA-N
Compound name
N-methyl-3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaenyl)propan-1-amine
Related CIDs

2D Structure

compound 2d structure
8
Annotation Hits

327
References

27387
Patents

263.1674 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.17468 160.9
[M+Na]+ 286.15662 166.9
[M-H]- 262.16012 167.2
[M+NH4]+ 281.20122 178.7
[M+K]+ 302.13056 165.4
[M+H-H2O]+ 246.16466 155.8
[M+HCOO]- 308.16560 182.3
[M+CH3COO]- 322.18125 172.3
[M+Na-2H]- 284.14207 168.6
[M]+ 263.16685 159.0
[M]- 263.16795 159.0
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