CID 155557

4-tert-butyl-n-methyl-n-phenylbenzamide

Structural Information

Molecular Formula
C18H21NO
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)N(C)C2=CC=CC=C2
InChI
InChI=1S/C18H21NO/c1-18(2,3)15-12-10-14(11-13-15)17(20)19(4)16-8-6-5-7-9-16/h5-13H,1-4H3
InChIKey
HIYAQBUTHPUUSV-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-methyl-N-phenylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5623
References

4
Patents

267.16232 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16960 163.9
[M+Na]+ 290.15154 169.6
[M-H]- 266.15504 171.8
[M+NH4]+ 285.19614 180.7
[M+K]+ 306.12548 167.1
[M+H-H2O]+ 250.15958 156.2
[M+HCOO]- 312.16052 186.3
[M+CH3COO]- 326.17617 204.5
[M+Na-2H]- 288.13699 168.3
[M]+ 267.16177 164.8
[M]- 267.16287 164.8
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