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 165.2
[M+Na]+ 313.07949 175.4
[M+NH4]+ 308.12409 169.7
[M+K]+ 329.05343 173.2
[M-H]- 289.08299 164.7
[M+Na-2H]- 311.06494 170.0
[M]+ 290.08972 166.0
[M]- 290.09082 166.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

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Patent stripe

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