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 199.5
[M+Na]+ 410.24545 200.4
[M-H]- 386.24895 207.0
[M+NH4]+ 405.29005 209.3
[M+K]+ 426.21939 194.9
[M+H-H2O]+ 370.25349 189.0
[M+HCOO]- 432.25443 218.1
[M+CH3COO]- 446.27008 225.5
[M+Na-2H]- 408.23090 201.8
[M]+ 387.25568 199.1
[M]- 387.25678 199.1
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.