CID 5742812

8-methoxy-11h-indolo[3,2-c]cinnoline

Structural Information

Molecular Formula
C15H11N3O
SMILES
COC1=CC2=C(C=C1)NC3=C2N=NC4=CC=CC=C43
InChI
InChI=1S/C15H11N3O/c1-19-9-6-7-12-11(8-9)15-14(16-12)10-4-2-3-5-13(10)17-18-15/h2-8,16H,1H3
InChIKey
QSPNUEKKSQFHSF-UHFFFAOYSA-N
Compound name
8-methoxy-11H-indolo[3,2-c]cinnoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

249.09021 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.09749 154.1
[M+Na]+ 272.07943 167.3
[M-H]- 248.08293 156.6
[M+NH4]+ 267.12403 171.9
[M+K]+ 288.05337 160.4
[M+H-H2O]+ 232.08747 145.5
[M+HCOO]- 294.08841 174.3
[M+CH3COO]- 308.10406 166.9
[M+Na-2H]- 270.06488 164.5
[M]+ 249.08966 158.2
[M]- 249.09076 158.2
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.