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 172.8
[M+Na]+ 332.13696 182.0
[M-H]- 308.14046 176.1
[M+NH4]+ 327.18156 186.5
[M+K]+ 348.11090 175.0
[M+H-H2O]+ 292.14500 164.2
[M+HCOO]- 354.14594 193.8
[M+CH3COO]- 368.16159 183.5
[M+Na-2H]- 330.12241 176.9
[M]+ 309.14719 174.6
[M]- 309.14829 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.