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]+ 354.181226 185.6
[M+Na]+ 376.163168 194.1
[M-H]- 352.166674 189.0
[M+NH4]+ 371.207773 197.6
[M+K]+ 392.137108 188.1
[M+H-H2O]+ 336.171210 176.8
[M+HCOO]- 398.172151 204.9
[M+CH3COO]- 412.187801 214.4
[M+Na-2H]- 374.148616 186.8
[M]+ 353.17340142 189.2
[M]- 353.17449858 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.