CID 4283803

Ethyl 3-(4-methoxyphenyl)-1-methyl-1h-pyrazole-5-carboxylate

Structural Information

Molecular Formula
C14H16N2O3
SMILES
CCOC(=O)C1=CC(=NN1C)C2=CC=C(C=C2)OC
InChI
InChI=1S/C14H16N2O3/c1-4-19-14(17)13-9-12(15-16(13)2)10-5-7-11(18-3)8-6-10/h5-9H,4H2,1-3H3
InChIKey
CSAJIZNBNZGVLY-UHFFFAOYSA-N
Compound name
ethyl 5-(4-methoxyphenyl)-2-methylpyrazole-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

260.1161 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.12338 159.5
[M+Na]+ 283.10532 172.3
[M+NH4]+ 278.14992 166.0
[M+K]+ 299.07926 168.4
[M-H]- 259.10882 161.2
[M+Na-2H]- 281.09077 165.8
[M]+ 260.11555 161.6
[M]- 260.11665 161.6
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

patents stripe