CID 6410718

Brn 5982720

Structural Information

Molecular Formula

C₁₆H₁₅N₅O

SMILES

CC1=CC(=NN1C2=C3C(=CN=N2)C4=C(N3)C=CC(=C4)OC)C

InChI

InChI=1S/C16H15N5O/c1-9-6-10(2)21(20-9)16-15-13(8-17-19-16)12-7-11(22-3)4-5-14(12)18-15/h4-8,18H,1-3H3

InChIKey

RGWLZBMRIVYNHV-UHFFFAOYSA-N

Compound name

4-(3,5-dimethylpyrazol-1-yl)-8-methoxy-5H-pyridazino[4,5-b]indole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 293.12766 Da
Monoisotopic Mass: 2.4
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]+	294.134936	169.5
[M+Na]+	316.116878	183.8
[M-H]-	292.120384	172.9
[M+NH4]+	311.161483	184.0
[M+K]+	332.090818	176.8
[M+H-H2O]+	276.124920	160.1
[M+HCOO]-	338.125861	189.0
[M+CH3COO]-	352.141511	181.6
[M+Na-2H]-	314.102326	173.6
[M]+	293.12711142	175.4
[M]-	293.12820858	175.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.