CID 199353

4-chloro-alpha-(2-(methylphenethylamino)ethyl)benzhydrol oxalate

Structural Information

Molecular Formula
C24H26ClNO
SMILES
CN(CCC1=CC=CC=C1)CCC(C2=CC=CC=C2)(C3=CC=C(C=C3)Cl)O
InChI
InChI=1S/C24H26ClNO/c1-26(18-16-20-8-4-2-5-9-20)19-17-24(27,21-10-6-3-7-11-21)22-12-14-23(25)15-13-22/h2-15,27H,16-19H2,1H3
InChIKey
HERITEOPZUFCKF-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-[methyl(2-phenylethyl)amino]-1-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.1703 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.17758 193.7
[M+Na]+ 402.15952 198.1
[M-H]- 378.16302 202.0
[M+NH4]+ 397.20412 205.2
[M+K]+ 418.13346 191.1
[M+H-H2O]+ 362.16756 184.3
[M+HCOO]- 424.16850 209.9
[M+CH3COO]- 438.18415 220.5
[M+Na-2H]- 400.14497 197.4
[M]+ 379.16975 195.9
[M]- 379.17085 195.9
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.