CID 202468

Propylamine, n,n-dibutyl-3-(2-(p-chlorobenzyl)phenoxy)-, hydrochloride

Structural Information

Molecular Formula
C24H34ClNO
SMILES
CCCCN(CCCC)CCCOC1=CC=CC=C1CC2=CC=C(C=C2)Cl
InChI
InChI=1S/C24H34ClNO/c1-3-5-16-26(17-6-4-2)18-9-19-27-24-11-8-7-10-22(24)20-21-12-14-23(25)15-13-21/h7-8,10-15H,3-6,9,16-20H2,1-2H3
InChIKey
MADRQXUNLMGGCV-UHFFFAOYSA-N
Compound name
N-butyl-N-[3-[2-[(4-chlorophenyl)methyl]phenoxy]propyl]butan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.23288 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.24016 200.2
[M+Na]+ 410.22210 204.3
[M-H]- 386.22560 206.3
[M+NH4]+ 405.26670 213.0
[M+K]+ 426.19604 198.0
[M+H-H2O]+ 370.23014 190.9
[M+HCOO]- 432.23108 218.2
[M+CH3COO]- 446.24673 227.9
[M+Na-2H]- 408.20755 200.3
[M]+ 387.23233 207.7
[M]- 387.23343 207.7
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.