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 3-(4-methoxyphenyl)-1-methylpyrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

260.1161 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.123376 158.2
[M+Na]+ 283.105318 167.3
[M-H]- 259.108824 163.0
[M+NH4]+ 278.149923 174.4
[M+K]+ 299.079258 164.9
[M+H-H2O]+ 243.113360 149.8
[M+HCOO]- 305.114301 180.6
[M+CH3COO]- 319.129951 196.2
[M+Na-2H]- 281.090766 160.4
[M]+ 260.11555142 163.1
[M]- 260.11664858 163.1
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

patents stripe