CID 3047024

1-butanamine, n-(3-((1,4-diphenyl-1h-pyrazol-3-yl)oxy)propyl)-, monohydrochloride

Structural Information

Molecular Formula
C22H27N3O
SMILES
CCCCNCCCOC1=NN(C=C1C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C22H27N3O/c1-2-3-15-23-16-10-17-26-22-21(19-11-6-4-7-12-19)18-25(24-22)20-13-8-5-9-14-20/h4-9,11-14,18,23H,2-3,10,15-17H2,1H3
InChIKey
HDGGOLAGVXFULV-UHFFFAOYSA-N
Compound name
N-[3-(1,4-diphenylpyrazol-3-yl)oxypropyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.21542 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.22270 185.8
[M+Na]+ 372.20464 190.8
[M-H]- 348.20814 192.1
[M+NH4]+ 367.24924 197.1
[M+K]+ 388.17858 184.7
[M+H-H2O]+ 332.21268 174.4
[M+HCOO]- 394.21362 208.1
[M+CH3COO]- 408.22927 216.0
[M+Na-2H]- 370.19009 188.4
[M]+ 349.21487 188.1
[M]- 349.21597 188.1
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.