CID 2664830

4-tert-butyl-n-(4-methylphenyl)benzamide

Structural Information

Molecular Formula
C18H21NO
SMILES
CC1=CC=C(C=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/C18H21NO/c1-13-5-11-16(12-6-13)19-17(20)14-7-9-15(10-8-14)18(2,3)4/h5-12H,1-4H3,(H,19,20)
InChIKey
UHMDTMGHGLDCJG-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-(4-methylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

267.16232 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.16960 165.7
[M+Na]+ 290.15154 179.3
[M+NH4]+ 285.19614 174.1
[M+K]+ 306.12548 171.8
[M-H]- 266.15504 170.5
[M+Na-2H]- 288.13699 174.7
[M]+ 267.16177 169.2
[M]- 267.16287 169.2
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