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]+ 271.18050 159.8
[M+Na]+ 293.16244 160.4
[M-H]- 269.16594 156.2
[M+NH4]+ 288.20704 180.7
[M+K]+ 309.13638 156.2
[M+H-H2O]+ 253.17048 150.5
[M+HCOO]- 315.17142 166.2
[M+CH3COO]- 329.18707 166.8
[M+Na-2H]- 291.14789 170.5
[M]+ 270.17267 158.2
[M]- 270.17377 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