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]+ 284.175736 159.0
[M+Na]+ 306.157678 159.5
[M-H]- 282.161184 156.6
[M+NH4]+ 301.202283 179.8
[M+K]+ 322.131618 155.9
[M+H-H2O]+ 266.165720 149.4
[M+HCOO]- 328.166661 168.1
[M+CH3COO]- 342.182311 166.4
[M+Na-2H]- 304.143126 171.2
[M]+ 283.16791142 157.9
[M]- 283.16900858 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.