CID 3045309

91948-28-6

Structural Information

Molecular Formula
C13H15N3O2
SMILES
CCOC(=O)C1=C(C(=NN1)C2=CC=CC(=C2)C)N
InChI
InChI=1S/C13H15N3O2/c1-3-18-13(17)12-10(14)11(15-16-12)9-6-4-5-8(2)7-9/h4-7H,3,14H2,1-2H3,(H,15,16)
InChIKey
JWXHYLUXNUPKNJ-UHFFFAOYSA-N
Compound name
ethyl 4-amino-3-(3-methylphenyl)-1H-pyrazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

245.11642 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.12370 156.6
[M+Na]+ 268.10564 167.9
[M+NH4]+ 263.15024 162.8
[M+K]+ 284.07958 164.6
[M-H]- 244.10914 158.3
[M+Na-2H]- 266.09109 162.2
[M]+ 245.11587 158.3
[M]- 245.11697 158.3
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

No patent data available for this compound.