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]+ 202.06111 139.3
[M+Na]+ 224.04305 152.1
[M-H]- 200.04655 138.4
[M+NH4]+ 219.08765 156.8
[M+K]+ 240.01699 145.1
[M+H-H2O]+ 184.05109 132.6
[M+HCOO]- 246.05203 157.8
[M+CH3COO]- 260.06768 152.0
[M+Na-2H]- 222.02850 147.8
[M]+ 201.05328 138.2
[M]- 201.05438 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