CID 3067247

80985-55-3

Structural Information

Molecular Formula
C10H7N3O2
SMILES
C1=CC=C2C(=C1)C3=C(N2)C(=O)NNC3=O
InChI
InChI=1S/C10H7N3O2/c14-9-7-5-3-1-2-4-6(5)11-8(7)10(15)13-12-9/h1-4,11H,(H,12,14)(H,13,15)
InChIKey
PPGNWVBGMDBNHD-UHFFFAOYSA-N
Compound name
3,5-dihydro-2H-pyridazino[4,5-b]indole-1,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

201.05383 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.061106 139.3
[M+Na]+ 224.043048 152.1
[M-H]- 200.046554 138.4
[M+NH4]+ 219.087653 156.8
[M+K]+ 240.016988 145.1
[M+H-H2O]+ 184.051090 132.6
[M+HCOO]- 246.052031 157.8
[M+CH3COO]- 260.067681 152.0
[M+Na-2H]- 222.028496 147.8
[M]+ 201.05328142 138.2
[M]- 201.05437858 138.2
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

patents stripe