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]+ 340.16558 180.7
[M+Na]+ 362.14752 190.1
[M-H]- 338.15102 184.2
[M+NH4]+ 357.19212 193.4
[M+K]+ 378.12146 183.6
[M+H-H2O]+ 322.15556 171.9
[M+HCOO]- 384.15650 201.4
[M+CH3COO]- 398.17215 210.5
[M+Na-2H]- 360.13297 183.6
[M]+ 339.15775 184.6
[M]- 339.15885 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.