CID 96226

6940-92-7

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

2
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.