CID 118796358

Bi-7273

Structural Information

Molecular Formula
C20H23N3O3
SMILES
CN1C=C(C2=C(C1=O)C=NC=C2)C3=CC(=C(C(=C3)OC)CN(C)C)OC
InChI
InChI=1S/C20H23N3O3/c1-22(2)11-17-18(25-4)8-13(9-19(17)26-5)16-12-23(3)20(24)15-10-21-7-6-14(15)16/h6-10,12H,11H2,1-5H3
InChIKey
RBUYFHLQNPJMQM-UHFFFAOYSA-N
Compound name
4-[4-[(dimethylamino)methyl]-3,5-dimethoxyphenyl]-2-methyl-2,7-naphthyridin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

125
Patents

353.17395 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.181226 185.9
[M+Na]+ 376.163168 195.8
[M-H]- 352.166674 193.0
[M+NH4]+ 371.207773 198.1
[M+K]+ 392.137108 192.1
[M+H-H2O]+ 336.171210 175.3
[M+HCOO]- 398.172151 207.3
[M+CH3COO]- 412.187801 223.9
[M+Na-2H]- 374.148616 189.3
[M]+ 353.17340142 193.1
[M]- 353.17449858 193.1
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.