CID 170855439

N-[(e)-(3-cyclopentyl-1-adamantyl)methyleneamino]pyridine-4-carboxamide

Structural Information

Molecular Formula
C22H29N3O
SMILES
C1CCC(C1)C23CC4CC(C2)CC(C4)(C3)/C=N/NC(=O)C5=CC=NC=C5
InChI
InChI=1S/C22H29N3O/c26-20(18-5-7-23-8-6-18)25-24-15-21-10-16-9-17(11-21)13-22(12-16,14-21)19-3-1-2-4-19/h5-8,15-17,19H,1-4,9-14H2,(H,25,26)/b24-15+
InChIKey
GYCJICCJWANDIH-BUVRLJJBSA-N
Compound name
N-[(E)-(3-cyclopentyl-1-adamantyl)methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.23105 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.23833 173.5
[M+Na]+ 374.22027 172.4
[M-H]- 350.22377 173.1
[M+NH4]+ 369.26487 194.6
[M+K]+ 390.19421 167.2
[M+H-H2O]+ 334.22831 162.1
[M+HCOO]- 396.22925 180.2
[M+CH3COO]- 410.24490 179.4
[M+Na-2H]- 372.20572 181.0
[M]+ 351.23050 169.8
[M]- 351.23160 169.8
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.