CID 3253293

Chembl199305

Structural Information

Molecular Formula
C25H23N3O4
SMILES
CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C(=NC=C3CO)C)OC2=NC4=CC(=CC=C4)OC
InChI
InChI=1S/C25H23N3O4/c1-15-7-9-18(10-8-15)27-24(30)22-12-21-17(14-29)13-26-16(2)23(21)32-25(22)28-19-5-4-6-20(11-19)31-3/h4-13,29H,14H2,1-3H3,(H,27,30)
InChIKey
UMUMNRBBQOIUQP-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-2-(3-methoxyphenyl)imino-8-methyl-N-(4-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

429.16885 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.17613 207.2
[M+Na]+ 452.15807 214.9
[M-H]- 428.16157 217.6
[M+NH4]+ 447.20267 214.4
[M+K]+ 468.13201 210.8
[M+H-H2O]+ 412.16611 195.1
[M+HCOO]- 474.16705 228.1
[M+CH3COO]- 488.18270 235.6
[M+Na-2H]- 450.14352 210.9
[M]+ 429.16830 211.3
[M]- 429.16940 211.3
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.