CID 16727756

Chembl389450

Structural Information

Molecular Formula
C26H35N3O
SMILES
CCCCCCNNC(=O)C1=NC2=CC=CC=C2C(=C1)C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C26H35N3O/c1-2-3-4-7-10-27-29-25(30)24-14-22(21-8-5-6-9-23(21)28-24)26-15-18-11-19(16-26)13-20(12-18)17-26/h5-6,8-9,14,18-20,27H,2-4,7,10-13,15-17H2,1H3,(H,29,30)
InChIKey
RXHMKGKSFDLFBK-UHFFFAOYSA-N
Compound name
4-(1-adamantyl)-N'-hexylquinoline-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

405.278 Da
Monoisotopic Mass

7.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.28528 191.8
[M+Na]+ 428.26722 189.7
[M-H]- 404.27072 187.5
[M+NH4]+ 423.31182 207.5
[M+K]+ 444.24116 183.8
[M+H-H2O]+ 388.27526 179.8
[M+HCOO]- 450.27620 195.0
[M+CH3COO]- 464.29185 195.2
[M+Na-2H]- 426.25267 199.9
[M]+ 405.27745 191.1
[M]- 405.27855 191.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.