CID 135429981

36820-81-2

Structural Information

Molecular Formula
C11H9N3O2
SMILES
COC1=CC2=C(C=C1)NC3=C2C=NNC3=O
InChI
InChI=1S/C11H9N3O2/c1-16-6-2-3-9-7(4-6)8-5-12-14-11(15)10(8)13-9/h2-5,13H,1H3,(H,14,15)
InChIKey
JJFRRONWXDVIDD-UHFFFAOYSA-N
Compound name
8-methoxy-3,5-dihydropyridazino[4,5-b]indol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

215.06947 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.076746 143.9
[M+Na]+ 238.058688 156.4
[M-H]- 214.062194 144.2
[M+NH4]+ 233.103293 161.6
[M+K]+ 254.032628 150.6
[M+H-H2O]+ 198.066730 136.6
[M+HCOO]- 260.067671 163.3
[M+CH3COO]- 274.083321 156.8
[M+Na-2H]- 236.044136 152.4
[M]+ 215.06892142 145.6
[M]- 215.07001858 145.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.