CID 5273597

2-(2,8-dicyclopentyl-4-quinolyl)acetohydrazide

Structural Information

Molecular Formula
C21H27N3O
SMILES
C1CCC(C1)C2=CC=CC3=C2N=C(C=C3CC(=O)NN)C4CCCC4
InChI
InChI=1S/C21H27N3O/c22-24-20(25)13-16-12-19(15-8-3-4-9-15)23-21-17(10-5-11-18(16)21)14-6-1-2-7-14/h5,10-12,14-15H,1-4,6-9,13,22H2,(H,24,25)
InChIKey
CPNJTDNPGSLGHC-UHFFFAOYSA-N
Compound name
2-(2,8-dicyclopentylquinolin-4-yl)acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

337.21542 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.22270 180.6
[M+Na]+ 360.20464 183.4
[M-H]- 336.20814 188.6
[M+NH4]+ 355.24924 196.0
[M+K]+ 376.17858 177.9
[M+H-H2O]+ 320.21268 171.8
[M+HCOO]- 382.21362 199.2
[M+CH3COO]- 396.22927 189.5
[M+Na-2H]- 358.19009 178.0
[M]+ 337.21487 173.8
[M]- 337.21597 173.8
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.