CID 682165

4-tert-butyl-n-(2-ethylphenyl)benzamide

Structural Information

Molecular Formula
C19H23NO
SMILES
CCC1=CC=CC=C1NC(=O)C2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/C19H23NO/c1-5-14-8-6-7-9-17(14)20-18(21)15-10-12-16(13-11-15)19(2,3)4/h6-13H,5H2,1-4H3,(H,20,21)
InChIKey
AJFFVUZAHHPWNZ-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-(2-ethylphenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

281.17798 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.18526 168.8
[M+Na]+ 304.16720 174.9
[M-H]- 280.17070 175.5
[M+NH4]+ 299.21180 184.7
[M+K]+ 320.14114 170.8
[M+H-H2O]+ 264.17524 161.4
[M+HCOO]- 326.17618 190.5
[M+CH3COO]- 340.19183 205.3
[M+Na-2H]- 302.15265 172.7
[M]+ 281.17743 169.3
[M]- 281.17853 169.3
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