CID 216464

Pyridoxylidenetryptamine

Structural Information

Molecular Formula
C18H19N3O2
SMILES
CC1=NC=C(C(=C1O)C=NCCC2=CNC3=CC=CC=C32)CO
InChI
InChI=1S/C18H19N3O2/c1-12-18(23)16(14(11-22)9-20-12)10-19-7-6-13-8-21-17-5-3-2-4-15(13)17/h2-5,8-10,21-23H,6-7,11H2,1H3
InChIKey
PBYGWYLXBVRYFQ-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-4-[2-(1H-indol-3-yl)ethyliminomethyl]-2-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.14774 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.15502 174.3
[M+Na]+ 332.13696 188.0
[M+NH4]+ 327.18156 180.9
[M+K]+ 348.11090 182.2
[M-H]- 308.14046 177.2
[M+Na-2H]- 330.12241 180.8
[M]+ 309.14719 176.9
[M]- 309.14829 176.9
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.