CID 4615208

Chembl199497

Structural Information

Molecular Formula
C24H20ClN3O3
SMILES
CC1=CC(=CC=C1)NC(=O)C2=CC3=C(C(=NC=C3CO)C)OC2=NC4=CC(=CC=C4)Cl
InChI
InChI=1S/C24H20ClN3O3/c1-14-5-3-7-18(9-14)27-23(30)21-11-20-16(13-29)12-26-15(2)22(20)31-24(21)28-19-8-4-6-17(25)10-19/h3-12,29H,13H2,1-2H3,(H,27,30)
InChIKey
FPJANFZEFYYUEO-UHFFFAOYSA-N
Compound name
2-(3-chlorophenyl)imino-5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)pyrano[2,3-c]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

433.11932 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.12660 207.0
[M+Na]+ 456.10854 216.3
[M-H]- 432.11204 217.3
[M+NH4]+ 451.15314 215.2
[M+K]+ 472.08248 210.2
[M+H-H2O]+ 416.11658 196.0
[M+HCOO]- 478.11752 223.7
[M+CH3COO]- 492.13317 216.4
[M+Na-2H]- 454.09399 210.5
[M]+ 433.11877 212.2
[M]- 433.11987 212.2
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.