CID 199744

1,2-diphenyl-3-methyl-4-(methylphenethylamino)-2-butanol oxalate

Structural Information

Molecular Formula
C26H31NO
SMILES
CC(CN(C)CCC1=CC=CC=C1)C(CC2=CC=CC=C2)(C3=CC=CC=C3)O
InChI
InChI=1S/C26H31NO/c1-22(21-27(2)19-18-23-12-6-3-7-13-23)26(28,25-16-10-5-11-17-25)20-24-14-8-4-9-15-24/h3-17,22,28H,18-21H2,1-2H3
InChIKey
IRQLUPGLMPPWEH-UHFFFAOYSA-N
Compound name
3-methyl-4-[methyl(2-phenylethyl)amino]-1,2-diphenylbutan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.24057 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.24785 195.0
[M+Na]+ 396.22979 196.4
[M-H]- 372.23329 202.8
[M+NH4]+ 391.27439 205.4
[M+K]+ 412.20373 191.1
[M+H-H2O]+ 356.23783 184.8
[M+HCOO]- 418.23877 214.0
[M+CH3COO]- 432.25442 222.6
[M+Na-2H]- 394.21524 197.8
[M]+ 373.24002 194.3
[M]- 373.24112 194.3
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.