CID 120135

Einecs 249-438-6

Structural Information

Molecular Formula
C22H22N2O
SMILES
CC(=O)NC1=CC(=CC=C1)N(CC2=CC=CC=C2)CC3=CC=CC=C3
InChI
InChI=1S/C22H22N2O/c1-18(25)23-21-13-8-14-22(15-21)24(16-19-9-4-2-5-10-19)17-20-11-6-3-7-12-20/h2-15H,16-17H2,1H3,(H,23,25)
InChIKey
HQLFTQUBRWAEGR-UHFFFAOYSA-N
Compound name
N-[3-(dibenzylamino)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

330.17322 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.18050 180.6
[M+Na]+ 353.16244 184.1
[M-H]- 329.16594 190.6
[M+NH4]+ 348.20704 193.3
[M+K]+ 369.13638 179.6
[M+H-H2O]+ 313.17048 170.1
[M+HCOO]- 375.17142 205.3
[M+CH3COO]- 389.18707 217.6
[M+Na-2H]- 351.14789 184.9
[M]+ 330.17267 179.8
[M]- 330.17377 179.8
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