CID 667624

4-tert-butyl-n-(2-chlorophenyl)benzamide

Structural Information

Molecular Formula
C17H18ClNO
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=CC=C2Cl
InChI
InChI=1S/C17H18ClNO/c1-17(2,3)13-10-8-12(9-11-13)16(20)19-15-7-5-4-6-14(15)18/h4-11H,1-3H3,(H,19,20)
InChIKey
PFKHLXGGIWJUPL-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-(2-chlorophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

1
Patents

287.1077 Da
Monoisotopic Mass

4.6
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