CID 3062574

5-hydroxy-4-(((2-(1h-indol-3-yl)-1-methylethyl)imino)methyl)-6-methyl-3-pyridinemethanol

Structural Information

Molecular Formula
C19H21N3O2
SMILES
CC1=NC=C(C(=C1O)C=NC(C)CC2=CNC3=CC=CC=C32)CO
InChI
InChI=1S/C19H21N3O2/c1-12(7-14-8-22-18-6-4-3-5-16(14)18)20-10-17-15(11-23)9-21-13(2)19(17)24/h3-6,8-10,12,22-24H,7,11H2,1-2H3
InChIKey
KDHYPTSVOBWQJA-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-4-[1-(1H-indol-3-yl)propan-2-yliminomethyl]-2-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.1634 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.17068 177.7
[M+Na]+ 346.15262 186.2
[M-H]- 322.15612 181.0
[M+NH4]+ 341.19722 190.8
[M+K]+ 362.12656 179.5
[M+H-H2O]+ 306.16066 169.1
[M+HCOO]- 368.16160 197.4
[M+CH3COO]- 382.17725 207.9
[M+Na-2H]- 344.13807 180.2
[M]+ 323.16285 179.3
[M]- 323.16395 179.3
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.