CID 64417

Nicotinamide, n-(p-(1-adamantyl)phenyl)-, hydrochloride

Structural Information

Molecular Formula
C22H24N2O
SMILES
C1C2CC3CC1CC(C2)(C3)C4=CC=C(C=C4)NC(=O)C5=CN=CC=C5
InChI
InChI=1S/C22H24N2O/c25-21(18-2-1-7-23-14-18)24-20-5-3-19(4-6-20)22-11-15-8-16(12-22)10-17(9-15)13-22/h1-7,14-17H,8-13H2,(H,24,25)
InChIKey
UEKQICRBQVLSRU-UHFFFAOYSA-N
Compound name
N-[4-(1-adamantyl)phenyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.18887 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.19615 178.0
[M+Na]+ 355.17809 190.4
[M+NH4]+ 350.22269 190.8
[M+K]+ 371.15203 178.6
[M-H]- 331.18159 181.0
[M+Na-2H]- 353.16354 180.2
[M]+ 332.18832 180.9
[M]- 332.18942 180.9
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

No patent data available for this compound.