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

27286
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.