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 149.6
[M+Na]+ 255.07402 164.7
[M+NH4]+ 250.11862 156.2
[M+K]+ 271.04796 158.2
[M-H]- 231.07752 151.7
[M+Na-2H]- 253.05947 158.0
[M]+ 232.08425 152.2
[M]- 232.08535 152.2
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