CID 3412920

Chembl434949

Structural Information

Molecular Formula
C25H23N3O5
SMILES
CC1=NC=C(C2=C1OC(=NC3=CC(=CC(=C3)OC)OC)C(=C2)C(=O)NC4=CC=CC=C4)CO
InChI
InChI=1S/C25H23N3O5/c1-15-23-21(16(14-29)13-26-15)12-22(24(30)27-17-7-5-4-6-8-17)25(33-23)28-18-9-19(31-2)11-20(10-18)32-3/h4-13,29H,14H2,1-3H3,(H,27,30)
InChIKey
QMOAUAOZCHZMBH-UHFFFAOYSA-N
Compound name
2-(3,5-dimethoxyphenyl)imino-5-(hydroxymethyl)-8-methyl-N-phenylpyrano[2,3-c]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

445.16376 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.17104 209.6
[M+Na]+ 468.15298 217.0
[M-H]- 444.15648 220.0
[M+NH4]+ 463.19758 215.9
[M+K]+ 484.12692 213.7
[M+H-H2O]+ 428.16102 197.2
[M+HCOO]- 490.16196 230.6
[M+CH3COO]- 504.17761 237.9
[M+Na-2H]- 466.13843 213.5
[M]+ 445.16321 215.1
[M]- 445.16431 215.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.