CID 722115

Ethyl 5-amino-1-(naphthalen-2-yl)-1h-pyrazole-4-carboxylate

Structural Information

Molecular Formula
C16H15N3O2
SMILES
CCOC(=O)C1=C(N(N=C1)C2=CC3=CC=CC=C3C=C2)N
InChI
InChI=1S/C16H15N3O2/c1-2-21-16(20)14-10-18-19(15(14)17)13-8-7-11-5-3-4-6-12(11)9-13/h3-10H,2,17H2,1H3
InChIKey
HPIRZLWDYNSASN-UHFFFAOYSA-N
Compound name
ethyl 5-amino-1-naphthalen-2-ylpyrazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.11642 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12370 164.0
[M+Na]+ 304.10564 173.8
[M-H]- 280.10914 169.6
[M+NH4]+ 299.15024 179.7
[M+K]+ 320.07958 169.1
[M+H-H2O]+ 264.11368 155.2
[M+HCOO]- 326.11462 187.1
[M+CH3COO]- 340.13027 176.2
[M+Na-2H]- 302.09109 168.6
[M]+ 281.11587 166.8
[M]- 281.11697 166.8
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

No patent data available for this compound.