CID 3056860

73840-53-6

Structural Information

Molecular Formula
C18H25N3O
SMILES
CN1CCCC2=C1N(C3=CC=CC=C3C2=O)CCCN(C)C
InChI
InChI=1S/C18H25N3O/c1-19(2)11-7-13-21-16-10-5-4-8-14(16)17(22)15-9-6-12-20(3)18(15)21/h4-5,8,10H,6-7,9,11-13H2,1-3H3
InChIKey
QSCRGPBWWDTREY-UHFFFAOYSA-N
Compound name
10-[3-(dimethylamino)propyl]-1-methyl-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

299.19977 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.20705 172.5
[M+Na]+ 322.18899 186.3
[M+NH4]+ 317.23359 181.0
[M+K]+ 338.16293 177.9
[M-H]- 298.19249 176.0
[M+Na-2H]- 320.17444 177.6
[M]+ 299.19922 175.5
[M]- 299.20032 175.5
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.