CID 3056946

73918-69-1

Structural Information

Molecular Formula

C₁₁H₉N₃O

SMILES

CN1C2=CC=CC=C2C3=C1C(=O)NN=C3

InChI

InChI=1S/C11H9N3O/c1-14-9-5-3-2-4-7(9)8-6-12-13-11(15)10(8)14/h2-6H,1H3,(H,13,15)

InChIKey

DPBGBHOLCPPFOL-UHFFFAOYSA-N

Compound name

5-methyl-3H-pyridazino[4,5-b]indol-4-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 2
Patents: 199.07455 Da
Monoisotopic Mass: 1.1
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]+	200.08183	140.6
[M+Na]+	222.06377	156.6
[M+NH4]+	217.10837	149.2
[M+K]+	238.03771	151.1
[M-H]-	198.06727	142.0
[M+Na-2H]-	220.04922	147.5
[M]+	199.07400	143.3
[M]-	199.07510	143.3

Literature stripe

literature stripe

Patent stripe

patents stripe