CID 4603230

Chembl199525

Structural Information

Molecular Formula
C26H25N3O3
SMILES
CCC1=CC=CC=C1N=C2C(=CC3=C(O2)C(=NC=C3CO)C)C(=O)NC4=CC=C(C=C4)C
InChI
InChI=1S/C26H25N3O3/c1-4-18-7-5-6-8-23(18)29-26-22(25(31)28-20-11-9-16(2)10-12-20)13-21-19(15-30)14-27-17(3)24(21)32-26/h5-14,30H,4,15H2,1-3H3,(H,28,31)
InChIKey
DYJYUJFWIOIXAO-UHFFFAOYSA-N
Compound name
2-(2-ethylphenyl)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

427.1896 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.19688 209.0
[M+Na]+ 450.17882 216.6
[M-H]- 426.18232 219.2
[M+NH4]+ 445.22342 216.4
[M+K]+ 466.15276 211.4
[M+H-H2O]+ 410.18686 197.0
[M+HCOO]- 472.18780 229.4
[M+CH3COO]- 486.20345 217.8
[M+Na-2H]- 448.16427 212.0
[M]+ 427.18905 212.1
[M]- 427.19015 212.1
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.