CID 4092364

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

260.1161 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.12338 158.2
[M+Na]+ 283.10532 167.3
[M-H]- 259.10882 163.0
[M+NH4]+ 278.14992 174.4
[M+K]+ 299.07926 164.9
[M+H-H2O]+ 243.11336 149.8
[M+HCOO]- 305.11430 180.6
[M+CH3COO]- 319.12995 196.2
[M+Na-2H]- 281.09077 160.4
[M]+ 260.11555 163.1
[M]- 260.11665 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

literature stripe

Patent stripe

patents stripe