CID 1219322

4-tert-butyl-n-mesitylbenzamide

Structural Information

Molecular Formula
C20H25NO
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)C2=CC=C(C=C2)C(C)(C)C)C
InChI
InChI=1S/C20H25NO/c1-13-11-14(2)18(15(3)12-13)21-19(22)16-7-9-17(10-8-16)20(4,5)6/h7-12H,1-6H3,(H,21,22)
InChIKey
PSRBUXFWVYQTQG-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-(2,4,6-trimethylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

295.1936 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.20088 172.2
[M+Na]+ 318.18282 179.7
[M-H]- 294.18632 179.5
[M+NH4]+ 313.22742 188.2
[M+K]+ 334.15676 175.6
[M+H-H2O]+ 278.19086 165.1
[M+HCOO]- 340.19180 193.5
[M+CH3COO]- 354.20745 210.7
[M+Na-2H]- 316.16827 174.3
[M]+ 295.19305 173.9
[M]- 295.19415 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

literature stripe

Patent stripe

patents stripe