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
2
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]+ 216.07675 143.9
[M+Na]+ 238.05869 156.4
[M-H]- 214.06219 144.2
[M+NH4]+ 233.10329 161.6
[M+K]+ 254.03263 150.6
[M+H-H2O]+ 198.06673 136.6
[M+HCOO]- 260.06767 163.3
[M+CH3COO]- 274.08332 156.8
[M+Na-2H]- 236.04414 152.4
[M]+ 215.06892 145.6
[M]- 215.07002 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.