CID 203750

15090-16-1

Structural Information

Molecular Formula
C20H31N3O
SMILES
CCCN(CCC)CCCOC1=CC(=NN1CC2=CC=CC=C2)C
InChI
InChI=1S/C20H31N3O/c1-4-12-22(13-5-2)14-9-15-24-20-16-18(3)21-23(20)17-19-10-7-6-8-11-19/h6-8,10-11,16H,4-5,9,12-15,17H2,1-3H3
InChIKey
IEGPEYOCFKLJQI-UHFFFAOYSA-N
Compound name
3-(2-benzyl-5-methylpyrazol-3-yl)oxy-N,N-dipropylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.2467 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.25398 184.3
[M+Na]+ 352.23592 189.1
[M-H]- 328.23942 188.7
[M+NH4]+ 347.28052 197.7
[M+K]+ 368.20986 185.5
[M+H-H2O]+ 312.24396 173.8
[M+HCOO]- 374.24490 206.5
[M+CH3COO]- 388.26055 217.6
[M+Na-2H]- 350.22137 184.8
[M]+ 329.24615 189.9
[M]- 329.24725 189.9
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.