CID 709708

N-(4-bromophenyl)-4-tert-butylbenzamide

Structural Information

Molecular Formula
C17H18BrNO
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C17H18BrNO/c1-17(2,3)13-6-4-12(5-7-13)16(20)19-15-10-8-14(18)9-11-15/h4-11H,1-3H3,(H,19,20)
InChIKey
MYQHGSXRFSPVTQ-UHFFFAOYSA-N
Compound name
N-(4-bromophenyl)-4-tert-butylbenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

331.0572 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 332.064476 171.7
[M+Na]+ 354.046418 181.2
[M-H]- 330.049924 180.6
[M+NH4]+ 349.091023 189.1
[M+K]+ 370.020358 169.0
[M+H-H2O]+ 314.054460 170.3
[M+HCOO]- 376.055401 191.2
[M+CH3COO]- 390.071051 208.0
[M+Na-2H]- 352.031866 177.1
[M]+ 331.05665142 189.8
[M]- 331.05774858 189.8
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