CID 64197

N-(1-adamantylmethyl)nicotinamide

Structural Information

Molecular Formula
C17H22N2O
SMILES
C1C2CC3CC1CC(C2)(C3)CNC(=O)C4=CN=CC=C4
InChI
InChI=1S/C17H22N2O/c20-16(15-2-1-3-18-10-15)19-11-17-7-12-4-13(8-17)6-14(5-12)9-17/h1-3,10,12-14H,4-9,11H2,(H,19,20)
InChIKey
PAFNPGZCRJCQGN-UHFFFAOYSA-N
Compound name
N-(1-adamantylmethyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

270.17322 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.18050 163.3
[M+Na]+ 293.16244 173.4
[M+NH4]+ 288.20704 175.7
[M+K]+ 309.13638 162.9
[M-H]- 269.16594 163.6
[M+Na-2H]- 291.14789 163.0
[M]+ 270.17267 164.9
[M]- 270.17377 164.9
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

patents stripe