CID 3042499

Brn 0835746

Structural Information

Molecular Formula

C₁₈H₁₇N₃O₂

SMILES

CC1=C2C(=CC3=C1C(=NN=C3OC)OC)C4=CC=CC=C4N2C

InChI

InChI=1S/C18H17N3O2/c1-10-15-13(17(22-3)19-20-18(15)23-4)9-12-11-7-5-6-8-14(11)21(2)16(10)12/h5-9H,1-4H3

InChIKey

CITTYWUJTUAVAL-UHFFFAOYSA-N

Compound name

1,4-dimethoxy-5,6-dimethylpyridazino[4,5-b]carbazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 307.13208 Da
Monoisotopic Mass: 3.5
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]+	308.139356	174.1
[M+Na]+	330.121298	188.6
[M-H]-	306.124804	178.5
[M+NH4]+	325.165903	190.9
[M+K]+	346.095238	182.6
[M+H-H2O]+	290.129340	164.9
[M+HCOO]-	352.130281	194.5
[M+CH3COO]-	366.145931	186.8
[M+Na-2H]-	328.106746	180.7
[M]+	307.13153142	183.3
[M]-	307.13262858	183.3

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.