CID 202734

13200-69-6

Structural Information

Molecular Formula
C18H27N3O
SMILES
CCN(CC)CCCOC1=CC(=NN1CC2=CC=CC=C2)C
InChI
InChI=1S/C18H27N3O/c1-4-20(5-2)12-9-13-22-18-14-16(3)19-21(18)15-17-10-7-6-8-11-17/h6-8,10-11,14H,4-5,9,12-13,15H2,1-3H3
InChIKey
FNIKIPDDJVZHNV-UHFFFAOYSA-N
Compound name
3-(2-benzyl-5-methylpyrazol-3-yl)oxy-N,N-diethylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

301.21542 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.22270 175.4
[M+Na]+ 324.20464 187.2
[M+NH4]+ 319.24924 182.5
[M+K]+ 340.17858 181.2
[M-H]- 300.20814 178.8
[M+Na-2H]- 322.19009 182.3
[M]+ 301.21487 178.0
[M]- 301.21597 178.0
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.