CID 58195

Brn 3424517

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]+ 354.27913 193.3
[M+Na]+ 376.26107 195.6
[M-H]- 352.26457 199.2
[M+NH4]+ 371.30567 206.2
[M+K]+ 392.23501 191.1
[M+H-H2O]+ 336.26911 183.2
[M+HCOO]- 398.27005 215.9
[M+CH3COO]- 412.28570 223.3
[M+Na-2H]- 374.24652 194.6
[M]+ 353.27130 198.0
[M]- 353.27240 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.