CID 53046

N-(2-adamantyl)benzamide

Structural Information

Molecular Formula
C17H21NO
SMILES
C1C2CC3CC1CC(C2)C3NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C17H21NO/c19-17(13-4-2-1-3-5-13)18-16-14-7-11-6-12(9-14)10-15(16)8-11/h1-5,11-12,14-16H,6-10H2,(H,18,19)
InChIKey
AUEWTJXOBFEOML-UHFFFAOYSA-N
Compound name
N-(2-adamantyl)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

30
Patents

255.16231 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16959 154.6
[M+Na]+ 278.15153 154.8
[M-H]- 254.15503 152.5
[M+NH4]+ 273.19613 175.8
[M+K]+ 294.12547 150.9
[M+H-H2O]+ 238.15957 147.1
[M+HCOO]- 300.16051 162.2
[M+CH3COO]- 314.17616 162.3
[M+Na-2H]- 276.13698 163.9
[M]+ 255.16176 152.5
[M]- 255.16286 152.5
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

No patent data available for this compound.