CID 3040445

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

Structural Information

Molecular Formula
C16H16N2O3
SMILES
CN(C)CC1=C(C=CC2=C1OC3=C(C2=O)C=CC=N3)OC
InChI
InChI=1S/C16H16N2O3/c1-18(2)9-12-13(20-3)7-6-10-14(19)11-5-4-8-17-16(11)21-15(10)12/h4-8H,9H2,1-3H3
InChIKey
GWKBVCBRFZPGKV-UHFFFAOYSA-N
Compound name
9-[(dimethylamino)methyl]-8-methoxychromeno[2,3-b]pyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.1161 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12338 162.6
[M+Na]+ 307.10532 179.3
[M+NH4]+ 302.14992 171.1
[M+K]+ 323.07926 171.8
[M-H]- 283.10882 167.9
[M+Na-2H]- 305.09077 169.9
[M]+ 284.11555 166.7
[M]- 284.11665 166.7
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.