CID 199413

4150-88-3

Structural Information

Molecular Formula
C20H27NO2
SMILES
CC1=CC=C(C=C1)C(C2=CC=C(C=C2)OC)(C(C)CN(C)C)O
InChI
InChI=1S/C20H27NO2/c1-15-6-8-17(9-7-15)20(22,16(2)14-21(3)4)18-10-12-19(23-5)13-11-18/h6-13,16,22H,14H2,1-5H3
InChIKey
WLPOSYYUWKQTOG-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-1-(4-methoxyphenyl)-2-methyl-1-(4-methylphenyl)propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.2042 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.21148 177.4
[M+Na]+ 336.19342 182.1
[M-H]- 312.19692 183.7
[M+NH4]+ 331.23802 191.7
[M+K]+ 352.16736 179.6
[M+H-H2O]+ 296.20146 169.4
[M+HCOO]- 358.20240 197.6
[M+CH3COO]- 372.21805 213.4
[M+Na-2H]- 334.17887 179.6
[M]+ 313.20365 179.8
[M]- 313.20475 179.8
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.