CID 803788

N-(2-tert-butylphenyl)-4-chlorobenzamide

Structural Information

Molecular Formula
C17H18ClNO
SMILES
CC(C)(C)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C17H18ClNO/c1-17(2,3)14-6-4-5-7-15(14)19-16(20)12-8-10-13(18)11-9-12/h4-11H,1-3H3,(H,19,20)
InChIKey
LHICOHYHDJFXNI-UHFFFAOYSA-N
Compound name
N-(2-tert-butylphenyl)-4-chlorobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

287.1077 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.11498 166.9
[M+Na]+ 310.09692 174.7
[M-H]- 286.10042 173.7
[M+NH4]+ 305.14152 183.5
[M+K]+ 326.07086 169.1
[M+H-H2O]+ 270.10496 160.4
[M+HCOO]- 332.10590 184.7
[M+CH3COO]- 346.12155 203.0
[M+Na-2H]- 308.08237 171.3
[M]+ 287.10715 168.9
[M]- 287.10825 168.9
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