CID 605292

1,4-dimethoxyphthalazine

Structural Information

Molecular Formula

C₁₀H₁₀N₂O₂

SMILES

COC1=NN=C(C2=CC=CC=C21)OC

InChI

InChI=1S/C10H10N2O2/c1-13-9-7-5-3-4-6-8(7)10(14-2)12-11-9/h3-6H,1-2H3

InChIKey

XHZOHQFFKAOCSU-UHFFFAOYSA-N

Compound name

1,4-dimethoxyphthalazine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 5
References: 259
Patents: 190.07423 Da
Monoisotopic Mass: 2.2
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]+	191.081506	138.3
[M+Na]+	213.063448	148.6
[M-H]-	189.066954	140.6
[M+NH4]+	208.108053	156.7
[M+K]+	229.037388	146.3
[M+H-H2O]+	173.071490	130.6
[M+HCOO]-	235.072431	160.2
[M+CH3COO]-	249.088081	183.5
[M+Na-2H]-	211.048896	147.9
[M]+	190.07368142	142.0
[M]-	190.07477858	142.0

Literature stripe

literature stripe

Patent stripe

patents stripe