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]+ 302.13063 171.1
[M+Na]+ 324.11257 179.4
[M-H]- 300.11607 178.2
[M+NH4]+ 319.15717 187.4
[M+K]+ 340.08651 173.7
[M+H-H2O]+ 284.12061 164.7
[M+HCOO]- 346.12155 188.5
[M+CH3COO]- 360.13720 207.1
[M+Na-2H]- 322.09802 174.3
[M]+ 301.12280 173.9
[M]- 301.12390 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