CID 203740

15083-54-2

Structural Information

Molecular Formula
C17H25N3O
SMILES
CCN(CC)CCCOC1=CC(=NN1C2=CC=CC=C2)C
InChI
InChI=1S/C17H25N3O/c1-4-19(5-2)12-9-13-21-17-14-15(3)18-20(17)16-10-7-6-8-11-16/h6-8,10-11,14H,4-5,9,12-13H2,1-3H3
InChIKey
BXFMKJNALBPMFN-UHFFFAOYSA-N
Compound name
N,N-diethyl-3-(5-methyl-2-phenylpyrazol-3-yl)oxypropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

287.19977 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.20705 170.7
[M+Na]+ 310.18899 176.9
[M-H]- 286.19249 175.7
[M+NH4]+ 305.23359 185.9
[M+K]+ 326.16293 174.0
[M+H-H2O]+ 270.19703 160.8
[M+HCOO]- 332.19797 193.9
[M+CH3COO]- 346.21362 208.7
[M+Na-2H]- 308.17444 172.8
[M]+ 287.19922 175.3
[M]- 287.20032 175.3
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.