CID 4456866

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

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

41
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 158.1
[M+Na]+ 284.100548 166.7
[M-H]- 260.104054 162.6
[M+NH4]+ 279.145153 173.6
[M+K]+ 300.074488 164.2
[M+H-H2O]+ 244.108590 149.5
[M+HCOO]- 306.109531 181.3
[M+CH3COO]- 320.125181 197.6
[M+Na-2H]- 282.085996 160.4
[M]+ 261.11078142 161.0
[M]- 261.11187858 161.0
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