CID 3051218

1-butanamine, n,n-dimethyl-4-(2-methyl-6-(phenylmethyl)phenoxy)-, hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

1
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]+ 298.216536 174.8
[M+Na]+ 320.198478 179.8
[M-H]- 296.201984 182.0
[M+NH4]+ 315.243083 190.4
[M+K]+ 336.172418 176.4
[M+H-H2O]+ 280.206520 165.8
[M+HCOO]- 342.207461 198.8
[M+CH3COO]- 356.223111 212.6
[M+Na-2H]- 318.183926 177.6
[M]+ 297.20871142 178.6
[M]- 297.20980858 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