CID 3040453

7-methoxy-8-piperidinomethyl-1-azaxanthone hydrochloride

Structural Information

Molecular Formula
C19H20N2O3
SMILES
COC1=C(C2=C(C=C1)C(=O)C3=C(O2)N=CC=C3)CN4CCCCC4
InChI
InChI=1S/C19H20N2O3/c1-23-16-8-7-13-17(22)14-6-5-9-20-19(14)24-18(13)15(16)12-21-10-3-2-4-11-21/h5-9H,2-4,10-12H2,1H3
InChIKey
WMEPEUWYWVYMJU-UHFFFAOYSA-N
Compound name
8-methoxy-9-(piperidin-1-ylmethyl)chromeno[2,3-b]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

324.1474 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 325.15468 175.9
[M+Na]+ 347.13662 184.6
[M-H]- 323.14012 181.9
[M+NH4]+ 342.18122 187.6
[M+K]+ 363.11056 180.3
[M+H-H2O]+ 307.14466 164.8
[M+HCOO]- 369.14560 191.9
[M+CH3COO]- 383.16125 186.3
[M+Na-2H]- 345.12207 182.6
[M]+ 324.14685 177.5
[M]- 324.14795 177.5
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.