CID 3051220

1-butanamine, n,n-dimethyl-4-(4-methyl-2-(phenylmethyl)phenoxy)-, hydrochloride

Structural Information

Molecular Formula
C20H27NO
SMILES
CC1=CC(=C(C=C1)OCCCCN(C)C)CC2=CC=CC=C2
InChI
InChI=1S/C20H27NO/c1-17-11-12-20(22-14-8-7-13-21(2)3)19(15-17)16-18-9-5-4-6-10-18/h4-6,9-12,15H,7-8,13-14,16H2,1-3H3
InChIKey
APBVKUHBEUBNGK-UHFFFAOYSA-N
Compound name
4-(2-benzyl-4-methylphenoxy)-N,N-dimethylbutan-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

297.20926 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.21654 174.8
[M+Na]+ 320.19848 179.8
[M-H]- 296.20198 182.0
[M+NH4]+ 315.24308 190.4
[M+K]+ 336.17242 176.4
[M+H-H2O]+ 280.20652 165.8
[M+HCOO]- 342.20746 198.8
[M+CH3COO]- 356.22311 212.6
[M+Na-2H]- 318.18393 177.6
[M]+ 297.20871 178.6
[M]- 297.20981 178.6
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

patents stripe