CID 199395

Alpha-benzyl-alpha-(1-methyl-2-(methylphenethylamino)ethyl)phenethyl alcohol oxalate

Structural Information

Molecular Formula
C27H33NO
SMILES
CC(CN(C)CCC1=CC=CC=C1)C(CC2=CC=CC=C2)(CC3=CC=CC=C3)O
InChI
InChI=1S/C27H33NO/c1-23(22-28(2)19-18-24-12-6-3-7-13-24)27(29,20-25-14-8-4-9-15-25)21-26-16-10-5-11-17-26/h3-17,23,29H,18-22H2,1-2H3
InChIKey
VHGUEJHLJWTEKJ-UHFFFAOYSA-N
Compound name
2-benzyl-3-methyl-4-[methyl(2-phenylethyl)amino]-1-phenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.25623 Da
Monoisotopic Mass

6.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.26351 202.1
[M+Na]+ 410.24545 215.5
[M+NH4]+ 405.29005 210.2
[M+K]+ 426.21939 205.9
[M-H]- 386.24895 209.3
[M+Na-2H]- 408.23090 212.9
[M]+ 387.25568 206.3
[M]- 387.25678 206.3
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.