CID 3042493

Brn 0548008

Structural Information

Molecular Formula

C₁₅H₁₁N₃O₂

SMILES

CC1=C2C(=CC3=C1C(=O)NNC3=O)C4=CC=CC=C4N2

InChI

InChI=1S/C15H11N3O2/c1-7-12-10(14(19)17-18-15(12)20)6-9-8-4-2-3-5-11(8)16-13(7)9/h2-6,16H,1H3,(H,17,19)(H,18,20)

InChIKey

YVJACKQAGUMGDH-UHFFFAOYSA-N

Compound name

5-methyl-3,6-dihydro-2H-pyridazino[4,5-b]carbazole-1,4-dione

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 265.0851 Da
Monoisotopic Mass: 2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	266.092376	158.3
[M+Na]+	288.074318	172.8
[M-H]-	264.077824	159.1
[M+NH4]+	283.118923	174.5
[M+K]+	304.048258	163.9
[M+H-H2O]+	248.082360	151.0
[M+HCOO]-	310.083301	175.9
[M+CH3COO]-	324.098951	170.4
[M+Na-2H]-	286.059766	166.4
[M]+	265.08455142	159.9
[M]-	265.08564858	159.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.