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]+ 288.207046 170.7
[M+Na]+ 310.188988 176.9
[M-H]- 286.192494 175.7
[M+NH4]+ 305.233593 185.9
[M+K]+ 326.162928 174.0
[M+H-H2O]+ 270.197030 160.8
[M+HCOO]- 332.197971 193.9
[M+CH3COO]- 346.213621 208.7
[M+Na-2H]- 308.174436 172.8
[M]+ 287.19922142 175.3
[M]- 287.20031858 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.