CID 3412918

Chembl276127

Structural Information

Molecular Formula
C25H23N3O3
SMILES
CCC1=CC(=CC=C1)N=C2C(=CC3=C(O2)C(=NC=C3CO)C)C(=O)NC4=CC=CC=C4
InChI
InChI=1S/C25H23N3O3/c1-3-17-8-7-11-20(12-17)28-25-22(24(30)27-19-9-5-4-6-10-19)13-21-18(15-29)14-26-16(2)23(21)31-25/h4-14,29H,3,15H2,1-2H3,(H,27,30)
InChIKey
UQQVJDBJZAZGAI-UHFFFAOYSA-N
Compound name
2-(3-ethylphenyl)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

413.17395 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.18123 203.4
[M+Na]+ 436.16317 210.6
[M-H]- 412.16667 213.4
[M+NH4]+ 431.20777 211.1
[M+K]+ 452.13711 205.4
[M+H-H2O]+ 396.17121 191.5
[M+HCOO]- 458.17215 224.2
[M+CH3COO]- 472.18780 212.4
[M+Na-2H]- 434.14862 207.7
[M]+ 413.17340 205.8
[M]- 413.17450 205.8
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.