CID 34364

Ifc-45

Structural Information

Molecular Formula
C17H18ClN3O
SMILES
CN(C)CCCN1C2=C(C=C(C=C2)Cl)C(=O)C3=C1N=CC=C3
InChI
InChI=1S/C17H18ClN3O/c1-20(2)9-4-10-21-15-7-6-12(18)11-14(15)16(22)13-5-3-8-19-17(13)21/h3,5-8,11H,4,9-10H2,1-2H3
InChIKey
DZXCWDAAGKRZPA-UHFFFAOYSA-N
Compound name
7-chloro-10-[3-(dimethylamino)propyl]benzo[b][1,8]naphthyridin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

0
Patents

315.11383 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.12111 171.1
[M+Na]+ 338.10305 188.7
[M+NH4]+ 333.14765 180.1
[M+K]+ 354.07699 178.9
[M-H]- 314.10655 175.2
[M+Na-2H]- 336.08850 179.2
[M]+ 315.11328 175.3
[M]- 315.11438 175.3
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

No patent data available for this compound.