CID 766735

4-tert-butyl-n-(3-chloro-4-methylphenyl)benzamide

Structural Information

Molecular Formula
C18H20ClNO
SMILES
CC1=C(C=C(C=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C)Cl
InChI
InChI=1S/C18H20ClNO/c1-12-5-10-15(11-16(12)19)20-17(21)13-6-8-14(9-7-13)18(2,3)4/h5-11H,1-4H3,(H,20,21)
InChIKey
DVULVSJDZZBYAB-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-(3-chloro-4-methylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

301.12335 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.130626 171.1
[M+Na]+ 324.112568 179.4
[M-H]- 300.116074 178.2
[M+NH4]+ 319.157173 187.4
[M+K]+ 340.086508 173.7
[M+H-H2O]+ 284.120610 164.7
[M+HCOO]- 346.121551 188.5
[M+CH3COO]- 360.137201 207.1
[M+Na-2H]- 322.098016 174.3
[M]+ 301.12280142 173.9
[M]- 301.12389858 173.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe