CID 170855412

N-[(e)-2-adamantylmethyleneamino]pyridine-4-carboxamide

Structural Information

Molecular Formula
C17H21N3O
SMILES
C1C2CC3CC1CC(C2)C3/C=N/NC(=O)C4=CC=NC=C4
InChI
InChI=1S/C17H21N3O/c21-17(13-1-3-18-4-2-13)20-19-10-16-14-6-11-5-12(8-14)9-15(16)7-11/h1-4,10-12,14-16H,5-9H2,(H,20,21)/b19-10+
InChIKey
XEHQCYWNYLPLJW-VXLYETTFSA-N
Compound name
N-[(E)-2-adamantylmethylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.16846 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.17574 158.3
[M+Na]+ 306.15768 158.4
[M-H]- 282.16118 156.0
[M+NH4]+ 301.20228 177.4
[M+K]+ 322.13162 155.0
[M+H-H2O]+ 266.16572 149.5
[M+HCOO]- 328.16666 167.4
[M+CH3COO]- 342.18231 165.7
[M+Na-2H]- 304.14313 169.2
[M]+ 283.16791 157.3
[M]- 283.16901 157.3
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.