CID 2849820

4-tert-butyl-n-(4-nitrophenyl)benzamide

Structural Information

Molecular Formula
C17H18N2O3
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)[N+](=O)[O-]
InChI
InChI=1S/C17H18N2O3/c1-17(2,3)13-6-4-12(5-7-13)16(20)18-14-8-10-15(11-9-14)19(21)22/h4-11H,1-3H3,(H,18,20)
InChIKey
AQAXLQNHEBQOJW-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-(4-nitrophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

2
Patents

298.13174 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 299.13902 168.0
[M+Na]+ 321.12096 181.2
[M+NH4]+ 316.16556 175.3
[M+K]+ 337.09490 177.6
[M-H]- 297.12446 173.3
[M+Na-2H]- 319.10641 176.1
[M]+ 298.13119 171.3
[M]- 298.13229 171.3
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