CID 3055332

Phenol, 2-(2-(2-(4-(dimethylamino)butoxy)phenyl)ethyl)-, hydrochloride

Structural Information

Molecular Formula
C20H27NO2
SMILES
CN(C)CCCCOC1=CC=CC=C1CCC2=CC=CC=C2O
InChI
InChI=1S/C20H27NO2/c1-21(2)15-7-8-16-23-20-12-6-4-10-18(20)14-13-17-9-3-5-11-19(17)22/h3-6,9-12,22H,7-8,13-16H2,1-2H3
InChIKey
CTXASSGAJBUUJD-UHFFFAOYSA-N
Compound name
2-[2-[2-[4-(dimethylamino)butoxy]phenyl]ethyl]phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

313.2042 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.21148 178.2
[M+Na]+ 336.19342 182.6
[M-H]- 312.19692 184.0
[M+NH4]+ 331.23802 192.3
[M+K]+ 352.16736 179.0
[M+H-H2O]+ 296.20146 169.3
[M+HCOO]- 358.20240 200.9
[M+CH3COO]- 372.21805 212.0
[M+Na-2H]- 334.17887 180.6
[M]+ 313.20365 181.6
[M]- 313.20475 181.6
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