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 164.3
[M+Na]+ 313.07949 175.9
[M+NH4]+ 308.12409 168.8
[M+K]+ 329.05343 172.4
[M-H]- 289.08299 164.4
[M+Na-2H]- 311.06494 168.5
[M]+ 290.08972 165.6
[M]- 290.09082 165.6
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.