CID 3043185

5-butoxy-n,n-dimethyl-1-phenyl-1h-pyrazole-3-carboxamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.1634 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.170676 168.5
[M+Na]+ 310.152618 175.2
[M-H]- 286.156124 174.0
[M+NH4]+ 305.197223 183.6
[M+K]+ 326.126558 173.1
[M+H-H2O]+ 270.160660 159.1
[M+HCOO]- 332.161601 191.6
[M+CH3COO]- 346.177251 207.2
[M+Na-2H]- 308.138066 170.2
[M]+ 287.16285142 172.9
[M]- 287.16394858 172.9
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.