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]+ 310.155016 172.8
[M+Na]+ 332.136958 182.0
[M-H]- 308.140464 176.1
[M+NH4]+ 327.181563 186.5
[M+K]+ 348.110898 175.0
[M+H-H2O]+ 292.145000 164.2
[M+HCOO]- 354.145941 193.8
[M+CH3COO]- 368.161591 183.5
[M+Na-2H]- 330.122406 176.9
[M]+ 309.14719142 174.6
[M]- 309.14828858 174.6
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.