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 200.1
[M+Na]+ 414.25158 203.9
[M-H]- 390.25508 207.2
[M+NH4]+ 409.29618 210.3
[M+K]+ 430.22552 198.4
[M+H-H2O]+ 374.25962 187.9
[M+HCOO]- 436.26056 221.8
[M+CH3COO]- 450.27621 228.0
[M+Na-2H]- 412.23703 200.3
[M]+ 391.26181 204.6
[M]- 391.26291 204.6
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.