CID 3047004

62832-85-3

Structural Information

Molecular Formula
C21H25N3O
SMILES
CCCCNCCOC1=NN(C=C1C2=CC=CC=C2)C3=CC=CC=C3
InChI
InChI=1S/C21H25N3O/c1-2-3-14-22-15-16-25-21-20(18-10-6-4-7-11-18)17-24(23-21)19-12-8-5-9-13-19/h4-13,17,22H,2-3,14-16H2,1H3
InChIKey
NVUFZLONSYPYFP-UHFFFAOYSA-N
Compound name
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

335.19977 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.207046 181.4
[M+Na]+ 358.188988 186.9
[M-H]- 334.192494 187.9
[M+NH4]+ 353.233593 193.3
[M+K]+ 374.162928 181.0
[M+H-H2O]+ 318.197030 170.3
[M+HCOO]- 380.197971 204.1
[M+CH3COO]- 394.213621 213.0
[M+Na-2H]- 356.174436 184.6
[M]+ 335.19922142 183.4
[M]- 335.20031858 183.4
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.