CID 49013

N-(2-hydroxyethyl)dibenzylamine benzoate hydrochloride

Structural Information

Molecular Formula
C23H23NO2
SMILES
C1=CC=C(C=C1)CN(CCOC(=O)C2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C23H23NO2/c25-23(22-14-8-3-9-15-22)26-17-16-24(18-20-10-4-1-5-11-20)19-21-12-6-2-7-13-21/h1-15H,16-19H2
InChIKey
VVCOQFRCVVAINP-UHFFFAOYSA-N
Compound name
2-(dibenzylamino)ethyl benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.17288 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.18016 186.2
[M+Na]+ 368.16210 200.9
[M+NH4]+ 363.20670 194.7
[M+K]+ 384.13604 191.1
[M-H]- 344.16560 194.0
[M+Na-2H]- 366.14755 198.2
[M]+ 345.17233 190.7
[M]- 345.17343 190.7
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.