CID 136557854

2219374-78-2

Structural Information

Molecular Formula
C14H14N2O5
SMILES
CC1=C(C=C(C=C1)N2C(=O)CCC(=N2)C(=O)O)C(=O)OC
InChI
InChI=1S/C14H14N2O5/c1-8-3-4-9(7-10(8)14(20)21-2)16-12(17)6-5-11(15-16)13(18)19/h3-4,7H,5-6H2,1-2H3,(H,18,19)
InChIKey
RQHARZJBLSHENP-UHFFFAOYSA-N
Compound name
1-(3-methoxycarbonyl-4-methylphenyl)-6-oxo-4,5-dihydropyridazine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.09027 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09755 162.7
[M+Na]+ 313.07949 170.3
[M-H]- 289.08299 165.8
[M+NH4]+ 308.12409 174.7
[M+K]+ 329.05343 168.0
[M+H-H2O]+ 273.08753 154.2
[M+HCOO]- 335.08847 179.6
[M+CH3COO]- 349.10412 199.7
[M+Na-2H]- 311.06494 163.5
[M]+ 290.08972 163.5
[M]- 290.09082 163.5
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

No patent data available for this compound.