CID 3043189

5-butoxy-n-ethyl-1-phenyl-1h-pyrazole-3-carboxamide

Structural Information

Molecular Formula
C16H21N3O2
SMILES
CCCCOC1=CC(=NN1C2=CC=CC=C2)C(=O)NCC
InChI
InChI=1S/C16H21N3O2/c1-3-5-11-21-15-12-14(16(20)17-4-2)18-19(15)13-9-7-6-8-10-13/h6-10,12H,3-5,11H2,1-2H3,(H,17,20)
InChIKey
KPTRQZWZURDPJL-UHFFFAOYSA-N
Compound name
5-butoxy-N-ethyl-1-phenylpyrazole-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.1634 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.170676 168.5
[M+Na]+ 310.152618 175.0
[M-H]- 286.156124 172.5
[M+NH4]+ 305.197223 182.9
[M+K]+ 326.126558 171.4
[M+H-H2O]+ 270.160660 159.1
[M+HCOO]- 332.161601 191.0
[M+CH3COO]- 346.177251 203.8
[M+Na-2H]- 308.138066 170.9
[M]+ 287.16285142 171.6
[M]- 287.16394858 171.6
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.