CID 12298545

6,7-dimethoxy-1,2-dihydrophthalazin-1-one

Structural Information

Molecular Formula
C10H10N2O3
SMILES
COC1=C(C=C2C(=C1)C=NNC2=O)OC
InChI
InChI=1S/C10H10N2O3/c1-14-8-3-6-5-11-12-10(13)7(6)4-9(8)15-2/h3-5H,1-2H3,(H,12,13)
InChIKey
ULUPECZWKSBPAW-UHFFFAOYSA-N
Compound name
6,7-dimethoxy-2H-phthalazin-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

206.06914 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.076416 141.1
[M+Na]+ 229.058358 152.1
[M-H]- 205.061864 142.5
[M+NH4]+ 224.102963 158.3
[M+K]+ 245.032298 148.9
[M+H-H2O]+ 189.066400 133.8
[M+HCOO]- 251.067341 161.9
[M+CH3COO]- 265.082991 183.5
[M+Na-2H]- 227.043806 149.5
[M]+ 206.06859142 144.1
[M]- 206.06968858 144.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe