CID 11688197

847249-57-4

Structural Information

Molecular Formula
C18H20N2O3
SMILES
CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=CC=C(C=C2)C(=O)NO
InChI
InChI=1S/C18H20N2O3/c1-18(2,3)14-8-4-12(5-9-14)16(21)19-15-10-6-13(7-11-15)17(22)20-23/h4-11,23H,1-3H3,(H,19,21)(H,20,22)
InChIKey
FMOQHLZNJFXULZ-UHFFFAOYSA-N
Compound name
4-tert-butyl-N-[4-(hydroxycarbamoyl)phenyl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

60
Patents

312.1474 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.15468 175.0
[M+Na]+ 335.13662 185.4
[M+NH4]+ 330.18122 180.8
[M+K]+ 351.11056 180.5
[M-H]- 311.14012 178.0
[M+Na-2H]- 333.12207 181.6
[M]+ 312.14685 177.1
[M]- 312.14795 177.1
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