CID 202082

Brn 0894719

Structural Information

Molecular Formula
C19H29N3O
SMILES
CCCN(CCC)CCOC1=CC(=NN1CC2=CC=CC=C2)C
InChI
InChI=1S/C19H29N3O/c1-4-11-21(12-5-2)13-14-23-19-15-17(3)20-22(19)16-18-9-7-6-8-10-18/h6-10,15H,4-5,11-14,16H2,1-3H3
InChIKey
LBLXTKXXEUBCGP-UHFFFAOYSA-N
Compound name
N-[2-(2-benzyl-5-methylpyrazol-3-yl)oxyethyl]-N-propylpropan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

315.23105 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.23833 179.9
[M+Na]+ 338.22027 191.5
[M+NH4]+ 333.26487 186.8
[M+K]+ 354.19421 185.2
[M-H]- 314.22377 183.3
[M+Na-2H]- 336.20572 186.5
[M]+ 315.23050 182.4
[M]- 315.23160 182.4
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.