CID 9555420

N-[(e)-1-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/c21-16(15-1-3-18-4-2-15)20-19-11-17-8-12-5-13(9-17)7-14(6-12)10-17/h1-4,11-14H,5-10H2,(H,20,21)/b19-11+
InChIKey
FWKCYDJPJVZYOQ-YBFXNURJSA-N
Compound name
N-[(E)-1-adamantylmethylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.16846 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.17574 159.0
[M+Na]+ 306.15768 159.5
[M-H]- 282.16118 156.6
[M+NH4]+ 301.20228 179.8
[M+K]+ 322.13162 155.9
[M+H-H2O]+ 266.16572 149.4
[M+HCOO]- 328.16666 168.1
[M+CH3COO]- 342.18231 166.4
[M+Na-2H]- 304.14313 171.2
[M]+ 283.16791 157.9
[M]- 283.16901 157.9
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.