CID 5063503

Chembl383780

Structural Information

Molecular Formula
C24H19Cl2N3O3
SMILES
CC1=CC=C(C=C1)NC(=O)C2=CC3=C(C(=NC=C3CO)C)OC2=NC4=CC(=C(C=C4)Cl)Cl
InChI
InChI=1S/C24H19Cl2N3O3/c1-13-3-5-16(6-4-13)28-23(31)19-10-18-15(12-30)11-27-14(2)22(18)32-24(19)29-17-7-8-20(25)21(26)9-17/h3-11,30H,12H2,1-2H3,(H,28,31)
InChIKey
QSXIGSINKGKHOM-UHFFFAOYSA-N
Compound name
2-(3,4-dichlorophenyl)imino-5-(hydroxymethyl)-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

467.08035 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 468.08763 213.2
[M+Na]+ 490.06957 223.7
[M-H]- 466.07307 223.0
[M+NH4]+ 485.11417 220.9
[M+K]+ 506.04351 217.0
[M+H-H2O]+ 450.07761 203.0
[M+HCOO]- 512.07855 224.8
[M+CH3COO]- 526.09420 222.1
[M+Na-2H]- 488.05502 215.2
[M]+ 467.07980 220.5
[M]- 467.08090 220.5
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.