CID 139030502

[3-(2-methoxy-2-oxidanylidene-ethoxy)phenyl]methyl 1~{h}-pyrazole-4-carboxylate

Structural Information

Molecular Formula
C14H14N2O5
SMILES
COC(=O)COC1=CC=CC(=C1)COC(=O)C2=CNN=C2
InChI
InChI=1S/C14H14N2O5/c1-19-13(17)9-20-12-4-2-3-10(5-12)8-21-14(18)11-6-15-16-7-11/h2-7H,8-9H2,1H3,(H,15,16)
InChIKey
HARZTHMZNXIIKQ-UHFFFAOYSA-N
Compound name
[3-(2-methoxy-2-oxoethoxy)phenyl]methyl 1H-pyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

290.09027 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.09755 163.5
[M+Na]+ 313.07949 169.9
[M-H]- 289.08299 166.3
[M+NH4]+ 308.12409 176.7
[M+K]+ 329.05343 167.9
[M+H-H2O]+ 273.08753 154.7
[M+HCOO]- 335.08847 184.0
[M+CH3COO]- 349.10412 194.9
[M+Na-2H]- 311.06494 165.7
[M]+ 290.08972 167.1
[M]- 290.09082 167.1
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.