CID 809340

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

Structural Information

Molecular Formula
C19H23NO
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NCCC2=CC=CC=C2
InChI
InChI=1S/C19H23NO/c1-19(2,3)17-11-9-16(10-12-17)18(21)20-14-13-15-7-5-4-6-8-15/h4-12H,13-14H2,1-3H3,(H,20,21)
InChIKey
BRWOQCXXKVWYTL-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-(2-phenylethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

8
Patents

281.17798 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.185256 169.3
[M+Na]+ 304.167198 174.4
[M-H]- 280.170704 175.5
[M+NH4]+ 299.211803 184.8
[M+K]+ 320.141138 170.2
[M+H-H2O]+ 264.175240 161.5
[M+HCOO]- 326.176181 190.9
[M+CH3COO]- 340.191831 204.1
[M+Na-2H]- 302.152646 173.8
[M]+ 281.17743142 169.3
[M]- 281.17852858 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