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

248
Patents

190.07423 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.08151 138.3
[M+Na]+ 213.06345 148.6
[M-H]- 189.06695 140.6
[M+NH4]+ 208.10805 156.7
[M+K]+ 229.03739 146.3
[M+H-H2O]+ 173.07149 130.6
[M+HCOO]- 235.07243 160.2
[M+CH3COO]- 249.08808 183.5
[M+Na-2H]- 211.04890 147.9
[M]+ 190.07368 142.0
[M]- 190.07478 142.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe