CID 342371

2-chloro-9-methoxy-1h-benzo(ij)-2,7-naphthyridine

Structural Information

Molecular Formula
C12H9ClN2O
SMILES
COC1=C2C3=C(C=CN=C3C=C1)C=C(N2)Cl
InChI
InChI=1S/C12H9ClN2O/c1-16-9-3-2-8-11-7(4-5-14-8)6-10(13)15-12(9)11/h2-6,15H,1H3
InChIKey
WKAMSMSJLRZJSJ-UHFFFAOYSA-N
Compound name
7-chloro-10-methoxy-2,8-diazatricyclo[7.3.1.05,13]trideca-1,3,5(13),6,9,11-hexaene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

232.04034 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.04762 147.8
[M+Na]+ 255.02956 158.7
[M-H]- 231.03306 148.6
[M+NH4]+ 250.07416 165.9
[M+K]+ 271.00350 152.6
[M+H-H2O]+ 215.03760 140.7
[M+HCOO]- 277.03854 161.0
[M+CH3COO]- 291.05419 160.0
[M+Na-2H]- 253.01501 157.1
[M]+ 232.03979 150.5
[M]- 232.04089 150.5
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.