CID 43821

N-(1-adamantylmethyl)isonicotinamide hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

270.17322 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.180496 159.8
[M+Na]+ 293.162438 160.4
[M-H]- 269.165944 156.2
[M+NH4]+ 288.207043 180.7
[M+K]+ 309.136378 156.2
[M+H-H2O]+ 253.170480 150.5
[M+HCOO]- 315.171421 166.2
[M+CH3COO]- 329.187071 166.8
[M+Na-2H]- 291.147886 170.5
[M]+ 270.17267142 158.2
[M]- 270.17376858 158.2
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