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]+ 313.15468 173.0
[M+Na]+ 335.13662 183.3
[M-H]- 311.14012 179.8
[M+NH4]+ 330.18122 188.0
[M+K]+ 351.11056 181.0
[M+H-H2O]+ 295.14466 163.8
[M+HCOO]- 357.14560 195.4
[M+CH3COO]- 371.16125 214.4
[M+Na-2H]- 333.12207 181.0
[M]+ 312.14685 181.6
[M]- 312.14795 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.