CID 96226

2-butoxy-7,10-dichloropyrido(3,2-b)quinoline

Structural Information

Molecular Formula
C16H14Cl2N2O
SMILES
CCCCOC1=NC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)Cl
InChI
InChI=1S/C16H14Cl2N2O/c1-2-3-8-21-14-7-6-12-16(20-14)15(18)11-5-4-10(17)9-13(11)19-12/h4-7,9H,2-3,8H2,1H3
InChIKey
WWVCYITZVMBKKZ-UHFFFAOYSA-N
Compound name
2-butoxy-7,10-dichlorobenzo[b][1,5]naphthyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

320.0483 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.05558 168.7
[M+Na]+ 343.03752 181.4
[M-H]- 319.04102 170.9
[M+NH4]+ 338.08212 184.4
[M+K]+ 359.01146 173.8
[M+H-H2O]+ 303.04556 160.7
[M+HCOO]- 365.04650 179.4
[M+CH3COO]- 379.06215 180.2
[M+Na-2H]- 341.02297 176.0
[M]+ 320.04775 176.9
[M]- 320.04885 176.9
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