CID 2787442

4-tert-butyl-n-(2-methyl-4-nitrophenyl)benzamide

Structural Information

Molecular Formula
C18H20N2O3
SMILES
CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=CC=C(C=C2)C(C)(C)C
InChI
InChI=1S/C18H20N2O3/c1-12-11-15(20(22)23)9-10-16(12)19-17(21)13-5-7-14(8-6-13)18(2,3)4/h5-11H,1-4H3,(H,19,21)
InChIKey
AUGMKWOPSOYNOH-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-(2-methyl-4-nitrophenyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

312.1474 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.15468 172.6
[M+Na]+ 335.13662 186.0
[M+NH4]+ 330.18122 179.7
[M+K]+ 351.11056 182.3
[M-H]- 311.14012 177.8
[M+Na-2H]- 333.12207 180.1
[M]+ 312.14685 175.9
[M]- 312.14795 175.9
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