CID 722400

4-tert-butyl-n-(2,5-dimethylphenyl)benzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
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