CID 7019180

111060-52-7

Structural Information

Molecular Formula
C23H25NO
SMILES
C1=CC=C(C=C1)C[C@@H](CO)N(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C23H25NO/c25-19-23(16-20-10-4-1-5-11-20)24(17-21-12-6-2-7-13-21)18-22-14-8-3-9-15-22/h1-15,23,25H,16-19H2/t23-/m0/s1
InChIKey
ZXNVOFMPUPOZDF-QHCPKHFHSA-N
Compound name
(2S)-2-(dibenzylamino)-3-phenylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

325
Patents

331.1936 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.20088 182.2
[M+Na]+ 354.18282 184.4
[M-H]- 330.18632 190.2
[M+NH4]+ 349.22742 194.1
[M+K]+ 370.15676 179.2
[M+H-H2O]+ 314.19086 171.9
[M+HCOO]- 376.19180 203.8
[M+CH3COO]- 390.20745 213.4
[M+Na-2H]- 352.16827 185.8
[M]+ 331.19305 180.9
[M]- 331.19415 180.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe