CID 199412

4150-87-2

Structural Information

Molecular Formula
C20H27NO2
SMILES
CC1=CC=CC=C1C(C2=CC=C(C=C2)OC)(C(C)CN(C)C)O
InChI
InChI=1S/C20H27NO2/c1-15-8-6-7-9-19(15)20(22,16(2)14-21(3)4)17-10-12-18(23-5)13-11-17/h6-13,16,22H,14H2,1-5H3
InChIKey
XRTXNXNZOIVSSI-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-1-(4-methoxyphenyl)-2-methyl-1-(2-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]+ 314.211476 177.4
[M+Na]+ 336.193418 182.1
[M-H]- 312.196924 183.7
[M+NH4]+ 331.238023 191.7
[M+K]+ 352.167358 179.6
[M+H-H2O]+ 296.201460 169.4
[M+HCOO]- 358.202401 197.6
[M+CH3COO]- 372.218051 213.4
[M+Na-2H]- 334.178866 179.6
[M]+ 313.20365142 179.8
[M]- 313.20474858 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.