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

41
Patents

353.17395 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.18123 185.9
[M+Na]+ 376.16317 195.8
[M-H]- 352.16667 193.0
[M+NH4]+ 371.20777 198.1
[M+K]+ 392.13711 192.1
[M+H-H2O]+ 336.17121 175.3
[M+HCOO]- 398.17215 207.3
[M+CH3COO]- 412.18780 223.9
[M+Na-2H]- 374.14862 189.3
[M]+ 353.17340 193.1
[M]- 353.17450 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

literature stripe

Patent stripe

patents stripe