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]+ 291.097546 162.3
[M+Na]+ 313.079488 171.1
[M-H]- 289.082994 167.4
[M+NH4]+ 308.124093 177.0
[M+K]+ 329.053428 170.0
[M+H-H2O]+ 273.087530 154.0
[M+HCOO]- 335.088471 184.3
[M+CH3COO]- 349.104121 199.9
[M+Na-2H]- 311.064936 163.7
[M]+ 290.08972142 168.7
[M]- 290.09081858 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.