CID 3062576

98497-91-7

Structural Information

Molecular Formula
C20H23N3O3
SMILES
CC1=NC=C(C(=C1O)C=NC(C)CC2=CNC3=C2C=C(C=C3)OC)CO
InChI
InChI=1S/C20H23N3O3/c1-12(21-10-18-15(11-24)9-22-13(2)20(18)25)6-14-8-23-19-5-4-16(26-3)7-17(14)19/h4-5,7-10,12,23-25H,6,11H2,1-3H3
InChIKey
BUWXZBZAZWONMX-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-4-[1-(5-methoxy-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

353.17395 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.18123 185.6
[M+Na]+ 376.16317 194.1
[M-H]- 352.16667 189.0
[M+NH4]+ 371.20777 197.6
[M+K]+ 392.13711 188.1
[M+H-H2O]+ 336.17121 176.8
[M+HCOO]- 398.17215 204.9
[M+CH3COO]- 412.18780 214.4
[M+Na-2H]- 374.14862 186.8
[M]+ 353.17340 189.2
[M]- 353.17450 189.2
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.