CID 3062575

98497-90-6

Structural Information

Molecular Formula
C19H21N3O3
SMILES
CC1=NC=C(C(=C1O)C=NCCC2=CNC3=C2C=C(C=C3)OC)CO
InChI
InChI=1S/C19H21N3O3/c1-12-19(24)17(14(11-23)9-21-12)10-20-6-5-13-8-22-18-4-3-15(25-2)7-16(13)18/h3-4,7-10,22-24H,5-6,11H2,1-2H3
InChIKey
PSBBWOSAIRQURS-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-4-[2-(5-methoxy-1H-indol-3-yl)ethyliminomethyl]-2-methylpyridin-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.1583 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.165576 180.7
[M+Na]+ 362.147518 190.1
[M-H]- 338.151024 184.2
[M+NH4]+ 357.192123 193.4
[M+K]+ 378.121458 183.6
[M+H-H2O]+ 322.155560 171.9
[M+HCOO]- 384.156501 201.4
[M+CH3COO]- 398.172151 210.5
[M+Na-2H]- 360.132966 183.6
[M]+ 339.15775142 184.6
[M]- 339.15884858 184.6
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.