CID 120836

903-17-3

Structural Information

Molecular Formula
C20H27NO3
SMILES
CC(CC(C1=CC=CC=C1)(C2=C(C=CC(=C2)OC)OC)O)N(C)C
InChI
InChI=1S/C20H27NO3/c1-15(21(2)3)14-20(22,16-9-7-6-8-10-16)18-13-17(23-4)11-12-19(18)24-5/h6-13,15,22H,14H2,1-5H3
InChIKey
BEIQGFIDYDGCCA-UHFFFAOYSA-N
Compound name
1-(2,5-dimethoxyphenyl)-3-(dimethylamino)-1-phenylbutan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1991 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.20638 180.7
[M+Na]+ 352.18832 185.2
[M-H]- 328.19182 187.0
[M+NH4]+ 347.23292 194.2
[M+K]+ 368.16226 183.4
[M+H-H2O]+ 312.19636 172.4
[M+HCOO]- 374.19730 201.0
[M+CH3COO]- 388.21295 215.4
[M+Na-2H]- 350.17377 183.0
[M]+ 329.19855 184.5
[M]- 329.19965 184.5
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.