CID 3040447

5h-benzopyrano(2,3-b)pyridin-5-one, 9-((diethylamino)methyl)-8-methoxy-, monohydrochloride

Structural Information

Molecular Formula
C18H20N2O3
SMILES
CCN(CC)CC1=C(C=CC2=C1OC3=C(C2=O)C=CC=N3)OC
InChI
InChI=1S/C18H20N2O3/c1-4-20(5-2)11-14-15(22-3)9-8-12-16(21)13-7-6-10-19-18(13)23-17(12)14/h6-10H,4-5,11H2,1-3H3
InChIKey
WWYAMMZXYJHWOW-UHFFFAOYSA-N
Compound name
9-(diethylaminomethyl)-8-methoxychromeno[2,3-b]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.1474 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.154676 173.0
[M+Na]+ 335.136618 183.3
[M-H]- 311.140124 179.8
[M+NH4]+ 330.181223 188.0
[M+K]+ 351.110558 181.0
[M+H-H2O]+ 295.144660 163.8
[M+HCOO]- 357.145601 195.4
[M+CH3COO]- 371.161251 214.4
[M+Na-2H]- 333.122066 181.0
[M]+ 312.14685142 181.6
[M]- 312.14794858 181.6
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.