CID 32680

N-(1-adamantyl)isonicotinamide

Structural Information

Molecular Formula
C16H20N2O
SMILES
C1C2CC3CC1CC(C2)(C3)NC(=O)C4=CC=NC=C4
InChI
InChI=1S/C16H20N2O/c19-15(14-1-3-17-4-2-14)18-16-8-11-5-12(9-16)7-13(6-11)10-16/h1-4,11-13H,5-10H2,(H,18,19)
InChIKey
ZYHRNAFWSGXHDQ-UHFFFAOYSA-N
Compound name
N-(1-adamantyl)pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

4
Patents

256.15756 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.164836 155.3
[M+Na]+ 279.146778 156.3
[M-H]- 255.150284 152.0
[M+NH4]+ 274.191383 176.8
[M+K]+ 295.120718 152.4
[M+H-H2O]+ 239.154820 146.2
[M+HCOO]- 301.155761 162.1
[M+CH3COO]- 315.171411 162.8
[M+Na-2H]- 277.132226 166.6
[M]+ 256.15701142 153.4
[M]- 256.15810858 153.4
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