CID 3055353

2-(5-dimethylaminopentyloxy)bibenzyl hydrochloride

Structural Information

Molecular Formula
C21H29NO
SMILES
CN(C)CCCCCOC1=CC=CC=C1CCC2=CC=CC=C2
InChI
InChI=1S/C21H29NO/c1-22(2)17-9-4-10-18-23-21-14-8-7-13-20(21)16-15-19-11-5-3-6-12-19/h3,5-8,11-14H,4,9-10,15-18H2,1-2H3
InChIKey
BDRNWOLJVUGQGL-UHFFFAOYSA-N
Compound name
N,N-dimethyl-5-[2-(2-phenylethyl)phenoxy]pentan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

311.2249 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.23218 179.6
[M+Na]+ 334.21412 183.2
[M-H]- 310.21762 186.2
[M+NH4]+ 329.25872 194.3
[M+K]+ 350.18806 179.5
[M+H-H2O]+ 294.22216 170.2
[M+HCOO]- 356.22310 203.2
[M+CH3COO]- 370.23875 214.4
[M+Na-2H]- 332.19957 182.6
[M]+ 311.22435 183.3
[M]- 311.22545 183.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe