CID 5182135

Chembl372788

Structural Information

Molecular Formula
C24H21N3O3
SMILES
CC1=CC(=CC=C1)N=C2C(=CC3=C(O2)C(=NC=C3CO)C)C(=O)NC4=CC=CC=C4
InChI
InChI=1S/C24H21N3O3/c1-15-7-6-10-19(11-15)27-24-21(23(29)26-18-8-4-3-5-9-18)12-20-17(14-28)13-25-16(2)22(20)30-24/h3-13,28H,14H2,1-2H3,(H,26,29)
InChIKey
JVCOIPXPOLTKTN-UHFFFAOYSA-N
Compound name
5-(hydroxymethyl)-8-methyl-2-(3-methylphenyl)imino-N-phenylpyrano[2,3-c]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

399.1583 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.16558 198.9
[M+Na]+ 422.14752 206.6
[M-H]- 398.15102 209.2
[M+NH4]+ 417.19212 207.2
[M+K]+ 438.12146 201.6
[M+H-H2O]+ 382.15556 187.2
[M+HCOO]- 444.15650 220.2
[M+CH3COO]- 458.17215 208.4
[M+Na-2H]- 420.13297 203.8
[M]+ 399.15775 201.0
[M]- 399.15885 201.0
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.