CID 138040672

1828-86-0

Structural Information

Molecular Formula
C12H12N2O3
SMILES
COC1=CC=C(C=C1)CN2C(=O)C=CC(=O)N2
InChI
InChI=1S/C12H12N2O3/c1-17-10-4-2-9(3-5-10)8-14-12(16)7-6-11(15)13-14/h2-7H,8H2,1H3,(H,13,15)
InChIKey
KACKFVWZCXHHQM-UHFFFAOYSA-N
Compound name
2-[(4-methoxyphenyl)methyl]-1H-pyridazine-3,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

232.0848 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 233.09208 148.4
[M+Na]+ 255.07402 158.6
[M-H]- 231.07752 151.9
[M+NH4]+ 250.11862 163.1
[M+K]+ 271.04796 154.3
[M+H-H2O]+ 215.08206 140.0
[M+HCOO]- 277.08300 170.2
[M+CH3COO]- 291.09865 187.0
[M+Na-2H]- 253.05947 154.9
[M]+ 232.08425 149.9
[M]- 232.08535 149.9
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