CID 5057439

Chembl199024

Structural Information

Molecular Formula
C25H23N3O3
SMILES
CC1=CC=C(C=C1)N=C2C(=CC3=C(O2)C(=NC=C3CO)C)C(=O)NC4=CC=CC(=C4)C
InChI
InChI=1S/C25H23N3O3/c1-15-7-9-19(10-8-15)28-25-22(24(30)27-20-6-4-5-16(2)11-20)12-21-18(14-29)13-26-17(3)23(21)31-25/h4-13,29H,14H2,1-3H3,(H,27,30)
InChIKey
UZLPKXXUHVHYGN-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-8-methyl-N-(3-methylphenyl)-2-(4-methylphenyl)iminopyrano[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 204.5
[M+Na]+ 436.16317 212.6
[M-H]- 412.16667 215.0
[M+NH4]+ 431.20777 212.5
[M+K]+ 452.13711 207.6
[M+H-H2O]+ 396.17121 192.7
[M+HCOO]- 458.17215 225.3
[M+CH3COO]- 472.18780 213.8
[M+Na-2H]- 434.14862 208.0
[M]+ 413.17340 207.3
[M]- 413.17450 207.3
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.