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]+ 291.097546 162.7
[M+Na]+ 313.079488 170.3
[M-H]- 289.082994 165.8
[M+NH4]+ 308.124093 174.7
[M+K]+ 329.053428 168.0
[M+H-H2O]+ 273.087530 154.2
[M+HCOO]- 335.088471 179.6
[M+CH3COO]- 349.104121 199.7
[M+Na-2H]- 311.064936 163.5
[M]+ 290.08972142 163.5
[M]- 290.09081858 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.