CID 3042730

60315-51-7

Structural Information

Molecular Formula
C21H20N2O2
SMILES
CN1CCCC2=C1N(C3=CC=CC=C3C2=O)CC(=O)C4=CC=CC=C4
InChI
InChI=1S/C21H20N2O2/c1-22-13-7-11-17-20(25)16-10-5-6-12-18(16)23(21(17)22)14-19(24)15-8-3-2-4-9-15/h2-6,8-10,12H,7,11,13-14H2,1H3
InChIKey
UPZFBTCTMOQKEN-UHFFFAOYSA-N
Compound name
1-methyl-10-phenacyl-3,4-dihydro-2H-benzo[b][1,8]naphthyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.15247 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.15975 179.8
[M+Na]+ 355.14169 187.4
[M-H]- 331.14519 184.8
[M+NH4]+ 350.18629 192.3
[M+K]+ 371.11563 180.9
[M+H-H2O]+ 315.14973 168.8
[M+HCOO]- 377.15067 195.0
[M+CH3COO]- 391.16632 189.3
[M+Na-2H]- 353.12714 183.9
[M]+ 332.15192 178.7
[M]- 332.15302 178.7
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.