CID 48897

Benzenemethanol, alpha-((bis(phenylmethyl)amino)methyl)-

Structural Information

Molecular Formula
C22H23NO
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)CC(C3=CC=CC=C3)O
InChI
InChI=1S/C22H23NO/c24-22(21-14-8-3-9-15-21)18-23(16-19-10-4-1-5-11-19)17-20-12-6-2-7-13-20/h1-15,22,24H,16-18H2
InChIKey
ZXPLMKPRHWPRMQ-UHFFFAOYSA-N
Compound name
2-(dibenzylamino)-1-phenylethanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

2
Patents

317.17798 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.185256 177.6
[M+Na]+ 340.167198 180.3
[M-H]- 316.170704 185.9
[M+NH4]+ 335.211803 190.2
[M+K]+ 356.141138 175.4
[M+H-H2O]+ 300.175240 167.6
[M+HCOO]- 362.176181 199.6
[M+CH3COO]- 376.191831 210.5
[M+Na-2H]- 338.152646 181.8
[M]+ 317.17743142 176.0
[M]- 317.17852858 176.0
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