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 172.6
[M+Na]+ 324.11257 187.5
[M+NH4]+ 319.15717 181.3
[M+K]+ 340.08651 179.2
[M-H]- 300.11607 177.5
[M+Na-2H]- 322.09802 181.4
[M]+ 301.12280 176.7
[M]- 301.12390 176.7
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