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]+ 282.123696 164.0
[M+Na]+ 304.105638 173.8
[M-H]- 280.109144 169.6
[M+NH4]+ 299.150243 179.7
[M+K]+ 320.079578 169.1
[M+H-H2O]+ 264.113680 155.2
[M+HCOO]- 326.114621 187.1
[M+CH3COO]- 340.130271 176.2
[M+Na-2H]- 302.091086 168.6
[M]+ 281.11587142 166.8
[M]- 281.11696858 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.