CID 477706

N-(adamantan-1-yl)-4-nitrobenzamide

Structural Information

Molecular Formula
C17H20N2O3
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=C(C=C4)[N+](=O)[O-]
InChI
InChI=1S/C17H20N2O3/c20-16(14-1-3-15(4-2-14)19(21)22)18-17-8-11-5-12(9-17)7-13(6-11)10-17/h1-4,11-13H,5-10H2,(H,18,20)
InChIKey
WHDVTOHVLBQCAP-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)-4-nitrobenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3
Patents

300.1474 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.15468 162.0
[M+Na]+ 323.13662 171.9
[M+NH4]+ 318.18122 174.0
[M+K]+ 339.11056 165.2
[M-H]- 299.14012 163.5
[M+Na-2H]- 321.12207 161.4
[M]+ 300.14685 163.8
[M]- 300.14795 163.8
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