CID 4068595

Ethyl 1-(2-methoxyphenyl)-5-methyl-1h-pyrazole-4-carboxylate

Structural Information

Molecular Formula
C14H16N2O3
SMILES
CCOC(=O)C1=C(N(N=C1)C2=CC=CC=C2OC)C
InChI
InChI=1S/C14H16N2O3/c1-4-19-14(17)11-9-15-16(10(11)2)12-7-5-6-8-13(12)18-3/h5-9H,4H2,1-3H3
InChIKey
GAMPDASSFOLQCM-UHFFFAOYSA-N
Compound name
ethyl 1-(2-methoxyphenyl)-5-methylpyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
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

No literature data available for this compound.

Patent stripe

patents stripe