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

3
Annotation Hits: 0
References: 24
Patents: 278.00137 Da
Monoisotopic Mass: 4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	279.008646	154.6
[M+Na]+	300.990588	168.7
[M-H]-	276.994094	157.4
[M+NH4]+	296.035193	172.0
[M+K]+	316.964528	161.8
[M+H-H2O]+	260.998630	147.4
[M+HCOO]-	322.999571	166.4
[M+CH3COO]-	337.015221	167.5
[M+Na-2H]-	298.976036	163.7
[M]+	278.00082142	161.9
[M]-	278.00191858	161.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe