CID 3039782

Brn 0994855

Structural Information

Molecular Formula

C₁₃H₂₀N₄O₂

SMILES

CCN(CC)CCN1C(=O)C2=NOC(=C2C(=N1)C)C

InChI

InChI=1S/C13H20N4O2/c1-5-16(6-2)7-8-17-13(18)12-11(9(3)14-17)10(4)19-15-12/h5-8H2,1-4H3

InChIKey

VYHDBXQGKXAQDV-UHFFFAOYSA-N

Compound name

6-[2-(diethylamino)ethyl]-3,4-dimethyl-[1,2]oxazolo[3,4-d]pyridazin-7-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 264.15863 Da
Monoisotopic Mass: 1.2
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]+	265.165906	162.0
[M+Na]+	287.147848	173.3
[M-H]-	263.151354	165.6
[M+NH4]+	282.192453	177.5
[M+K]+	303.121788	171.7
[M+H-H2O]+	247.155890	153.5
[M+HCOO]-	309.156831	184.4
[M+CH3COO]-	323.172481	205.0
[M+Na-2H]-	285.133296	166.8
[M]+	264.15808142	170.6
[M]-	264.15917858	170.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.