CID 23107

6626-40-0

Structural Information

Molecular Formula
C13H8Cl2N2O
SMILES
COC1=NC2=C(C3=C(C=C(C=C3)Cl)N=C2C=C1)Cl
InChI
InChI=1S/C13H8Cl2N2O/c1-18-11-5-4-9-13(17-11)12(15)8-3-2-7(14)6-10(8)16-9/h2-6H,1H3
InChIKey
KHPZCNJKNIHKPI-UHFFFAOYSA-N
Compound name
7,10-dichloro-2-methoxybenzo[b][1,5]naphthyridine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

22
Patents

278.00137 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.00865 154.6
[M+Na]+ 300.99059 168.7
[M-H]- 276.99409 157.4
[M+NH4]+ 296.03519 172.0
[M+K]+ 316.96453 161.8
[M+H-H2O]+ 260.99863 147.4
[M+HCOO]- 322.99957 166.4
[M+CH3COO]- 337.01522 167.5
[M+Na-2H]- 298.97604 163.7
[M]+ 278.00082 161.9
[M]- 278.00192 161.9
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

patents stripe