CID 29392

N-(1-adamantyl)benzamide

Structural Information

Molecular Formula
C17H21NO
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=CC=C4
InChI
InChI=1S/C17H21NO/c19-16(15-4-2-1-3-5-15)18-17-9-12-6-13(10-17)8-14(7-12)11-17/h1-5,12-14H,6-11H2,(H,18,19)
InChIKey
HIMFTDSGLWYLKA-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)benzamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

74
Patents

255.16231 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.16959 156.2
[M+Na]+ 278.15153 156.8
[M-H]- 254.15503 154.1
[M+NH4]+ 273.19613 179.1
[M+K]+ 294.12547 152.6
[M+H-H2O]+ 238.15957 147.9
[M+HCOO]- 300.16051 163.8
[M+CH3COO]- 314.17616 164.0
[M+Na-2H]- 276.13698 166.8
[M]+ 255.16176 154.0
[M]- 255.16286 154.0
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