CID 58195

Dibutylamine, n-(3-(p-(phenoxymethyl)phenyl)propyl)-

Structural Information

Molecular Formula
C24H35NO
SMILES
CCCCN(CCCC)CCCC1=CC=C(C=C1)COC2=CC=CC=C2
InChI
InChI=1S/C24H35NO/c1-3-5-18-25(19-6-4-2)20-10-11-22-14-16-23(17-15-22)21-26-24-12-8-7-9-13-24/h7-9,12-17H,3-6,10-11,18-21H2,1-2H3
InChIKey
ONPKNKDRTMVSEY-UHFFFAOYSA-N
Compound name
N-butyl-N-[3-[4-(phenoxymethyl)phenyl]propyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

353.27185 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.279126 193.3
[M+Na]+ 376.261068 195.6
[M-H]- 352.264574 199.2
[M+NH4]+ 371.305673 206.2
[M+K]+ 392.235008 191.1
[M+H-H2O]+ 336.269110 183.2
[M+HCOO]- 398.270051 215.9
[M+CH3COO]- 412.285701 223.3
[M+Na-2H]- 374.246516 194.6
[M]+ 353.27130142 198.0
[M]- 353.27239858 198.0
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.