CID 722391

4-tert-butyl-n-(2,4-dimethylphenyl)benzamide

Structural Information

Molecular Formula
C19H23NO
SMILES
CC1=CC(=C(C=C1)NC(=O)C2=CC=C(C=C2)C(C)(C)C)C
InChI
InChI=1S/C19H23NO/c1-13-6-11-17(14(2)12-13)20-18(21)15-7-9-16(10-8-15)19(3,4)5/h6-12H,1-5H3,(H,20,21)
InChIKey
OMAJRZRBCPSMGE-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-(2,4-dimethylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

281.17798 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.18526 168.3
[M+Na]+ 304.16720 175.3
[M-H]- 280.17070 175.3
[M+NH4]+ 299.21180 184.5
[M+K]+ 320.14114 171.3
[M+H-H2O]+ 264.17524 161.0
[M+HCOO]- 326.17618 189.9
[M+CH3COO]- 340.19183 206.5
[M+Na-2H]- 302.15265 171.5
[M]+ 281.17743 169.1
[M]- 281.17853 169.1
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