CID 12814621

Dimethyl 1-(2-methoxyphenyl)-1h-pyrazole-3,4-dicarboxylate

Structural Information

Molecular Formula
C14H14N2O5
SMILES
COC1=CC=CC=C1N2C=C(C(=N2)C(=O)OC)C(=O)OC
InChI
InChI=1S/C14H14N2O5/c1-19-11-7-5-4-6-10(11)16-8-9(13(17)20-2)12(15-16)14(18)21-3/h4-8H,1-3H3
InChIKey
JXAPRMTVLXQFGN-UHFFFAOYSA-N
Compound name
dimethyl 1-(2-methoxyphenyl)pyrazole-3,4-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

290.09027 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09755 162.3
[M+Na]+ 313.07949 171.1
[M-H]- 289.08299 167.4
[M+NH4]+ 308.12409 177.0
[M+K]+ 329.05343 170.0
[M+H-H2O]+ 273.08753 154.0
[M+HCOO]- 335.08847 184.3
[M+CH3COO]- 349.10412 199.9
[M+Na-2H]- 311.06494 163.7
[M]+ 290.08972 168.7
[M]- 290.09082 168.7
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.