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 175.3
[M+Na]+ 344.12572 184.2
[M-H]- 320.12922 181.9
[M+NH4]+ 339.17032 188.3
[M+K]+ 360.09966 179.3
[M+H-H2O]+ 304.13376 165.8
[M+HCOO]- 366.13470 190.9
[M+CH3COO]- 380.15035 185.9
[M+Na-2H]- 342.11117 180.7
[M]+ 321.13595 175.6
[M]- 321.13705 175.6
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

patents stripe