CID 101312

N,n-dibenzylbenzamide

Structural Information

Molecular Formula
C21H19NO
SMILES
C1=CC=C(C=C1)CN(CC2=CC=CC=C2)C(=O)C3=CC=CC=C3
InChI
InChI=1S/C21H19NO/c23-21(20-14-8-3-9-15-20)22(16-18-10-4-1-5-11-18)17-19-12-6-2-7-13-19/h1-15H,16-17H2
InChIKey
VEQBFCHDNFXWFH-UHFFFAOYSA-N
Compound name
N,N-dibenzylbenzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

34
Patents

301.14667 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.15395 172.7
[M+Na]+ 324.13589 176.7
[M-H]- 300.13939 182.6
[M+NH4]+ 319.18049 186.7
[M+K]+ 340.10983 172.3
[M+H-H2O]+ 284.14393 162.7
[M+HCOO]- 346.14487 196.8
[M+CH3COO]- 360.16052 183.5
[M+Na-2H]- 322.12134 177.8
[M]+ 301.14612 171.8
[M]- 301.14722 171.8
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