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

33
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

literature stripe

Patent stripe

patents stripe