CID 809338

N-benzyl-4-tert-butylbenzamide

Structural Information

Molecular Formula
C18H21NO
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NCC2=CC=CC=C2
InChI
InChI=1S/C18H21NO/c1-18(2,3)16-11-9-15(10-12-16)17(20)19-13-14-7-5-4-6-8-14/h4-12H,13H2,1-3H3,(H,19,20)
InChIKey
YDWFQKUSPZKUPI-UHFFFAOYSA-N
Compound name
N-benzyl-4-tert-butylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

16
Patents

267.16232 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16960 166.0
[M+Na]+ 290.15154 179.2
[M+NH4]+ 285.19614 174.4
[M+K]+ 306.12548 171.5
[M-H]- 266.15504 170.7
[M+Na-2H]- 288.13699 175.2
[M]+ 267.16177 169.3
[M]- 267.16287 169.3
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