CID 199982

Brn 0892808

Structural Information

Molecular Formula
C17H25N3O
SMILES
CCN(CC)CCOC1=CC(=NN1CC2=CC=CC=C2)C
InChI
InChI=1S/C17H25N3O/c1-4-19(5-2)11-12-21-17-13-15(3)18-20(17)14-16-9-7-6-8-10-16/h6-10,13H,4-5,11-12,14H2,1-3H3
InChIKey
LCNVRKVMQVOJGG-UHFFFAOYSA-N
Compound name
2-(2-benzyl-5-methylpyrazol-3-yl)oxy-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.19977 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.20705 170.9
[M+Na]+ 310.18899 182.9
[M+NH4]+ 305.23359 178.2
[M+K]+ 326.16293 177.1
[M-H]- 286.19249 174.4
[M+Na-2H]- 308.17444 178.0
[M]+ 287.19922 173.5
[M]- 287.20032 173.5
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.