CID 13303383

3-pyrazolecarboxylic acid, 4-amino-5-(p-methoxyphenyl)-, ethyl ester

Structural Information

Molecular Formula
C13H15N3O3
SMILES
CCOC(=O)C1=C(C(=NN1)C2=CC=C(C=C2)OC)N
InChI
InChI=1S/C13H15N3O3/c1-3-19-13(17)12-10(14)11(15-16-12)8-4-6-9(18-2)7-5-8/h4-7H,3,14H2,1-2H3,(H,15,16)
InChIKey
NNWJZAJQSKWKRC-UHFFFAOYSA-N
Compound name
ethyl 4-amino-3-(4-methoxyphenyl)-1H-pyrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

261.11133 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.118606 158.6
[M+Na]+ 284.100548 166.7
[M-H]- 260.104054 161.7
[M+NH4]+ 279.145153 173.3
[M+K]+ 300.074488 163.3
[M+H-H2O]+ 244.108590 150.2
[M+HCOO]- 306.109531 180.2
[M+CH3COO]- 320.125181 195.2
[M+Na-2H]- 282.085996 160.4
[M]+ 261.11078142 159.6
[M]- 261.11187858 159.6
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