CID 3046998

1-butanamine, n-butyl-n-(2-((1,4-diphenyl-1h-pyrazol-3-yl)oxy)ethyl)-, monomethanesulfonate

Structural Information

Molecular Formula
C25H33N3O
SMILES
CCCCN(CCCC)CCOC1=NN(C=C1C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C25H33N3O/c1-3-5-17-27(18-6-4-2)19-20-29-25-24(22-13-9-7-10-14-22)21-28(26-25)23-15-11-8-12-16-23/h7-16,21H,3-6,17-20H2,1-2H3
InChIKey
HCPPZKGYKODPOM-UHFFFAOYSA-N
Compound name
N-butyl-N-[2-(1,4-diphenylpyrazol-3-yl)oxyethyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.26236 Da
Monoisotopic Mass

6.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.26964 201.5
[M+Na]+ 414.25158 214.8
[M+NH4]+ 409.29618 208.6
[M+K]+ 430.22552 206.6
[M-H]- 390.25508 207.5
[M+Na-2H]- 412.23703 210.6
[M]+ 391.26181 205.1
[M]- 391.26291 205.1
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.