CID 5493357

Brn 0624401

Structural Information

Molecular Formula
C20H19NO3
SMILES
CC1=CC(=C2C3=C(CN(CC3)CC4=CC=CC=C4)C(=O)OC2=C1)O
InChI
InChI=1S/C20H19NO3/c1-13-9-17(22)19-15-7-8-21(11-14-5-3-2-4-6-14)12-16(15)20(23)24-18(19)10-13/h2-6,9-10,22H,7-8,11-12H2,1H3
InChIKey
ZGJQCYQHRMZBNX-UHFFFAOYSA-N
Compound name
3-benzyl-10-hydroxy-8-methyl-2,4-dihydro-1H-chromeno[3,4-c]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.1365 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.14378 175.4
[M+Na]+ 344.12572 192.4
[M+NH4]+ 339.17032 184.2
[M+K]+ 360.09966 183.7
[M-H]- 320.12922 182.0
[M+Na-2H]- 342.11117 182.3
[M]+ 321.13595 179.9
[M]- 321.13705 179.9
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.