CID 809347

4-tert-butyl-n-(3,4-dimethylphenyl)benzamide

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

281.17798 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.185256 168.3
[M+Na]+ 304.167198 175.3
[M-H]- 280.170704 175.3
[M+NH4]+ 299.211803 184.5
[M+K]+ 320.141138 171.3
[M+H-H2O]+ 264.175240 161.0
[M+HCOO]- 326.176181 189.9
[M+CH3COO]- 340.191831 206.5
[M+Na-2H]- 302.152646 171.5
[M]+ 281.17743142 169.1
[M]- 281.17852858 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

No literature data available for this compound.

Patent stripe

patents stripe