CID 4615111

Chembl201592

Structural Information

Molecular Formula
C24H19N3O5
SMILES
CC1=NC=C(C2=C1OC(=NC3=CC4=C(C=C3)OCO4)C(=C2)C(=O)NC5=CC=CC=C5)CO
InChI
InChI=1S/C24H19N3O5/c1-14-22-18(15(12-28)11-25-14)10-19(23(29)26-16-5-3-2-4-6-16)24(32-22)27-17-7-8-20-21(9-17)31-13-30-20/h2-11,28H,12-13H2,1H3,(H,26,29)
InChIKey
IRCQNNXDZKUBBE-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-ylimino)-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

429.13248 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 430.13976 202.6
[M+Na]+ 452.12170 210.4
[M-H]- 428.12520 215.2
[M+NH4]+ 447.16630 209.5
[M+K]+ 468.09564 208.7
[M+H-H2O]+ 412.12974 192.3
[M+HCOO]- 474.13068 221.2
[M+CH3COO]- 488.14633 212.2
[M+Na-2H]- 450.10715 207.4
[M]+ 429.13193 207.0
[M]- 429.13303 207.0
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.