CID 16727610

Chembl227627

Structural Information

Molecular Formula
C24H31N3O
SMILES
CCCCNNC(=O)C1=NC2=CC=CC=C2C(=C1)C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C24H31N3O/c1-2-3-8-25-27-23(28)22-12-20(19-6-4-5-7-21(19)26-22)24-13-16-9-17(14-24)11-18(10-16)15-24/h4-7,12,16-18,25H,2-3,8-11,13-15H2,1H3,(H,27,28)
InChIKey
SSGSLEDIMNIIMN-UHFFFAOYSA-N
Compound name
4-(1-adamantyl)-N'-butylquinoline-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.2467 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.25398 183.2
[M+Na]+ 400.23592 182.2
[M-H]- 376.23942 179.5
[M+NH4]+ 395.28052 200.1
[M+K]+ 416.20986 176.6
[M+H-H2O]+ 360.24396 171.7
[M+HCOO]- 422.24490 187.3
[M+CH3COO]- 436.26055 187.7
[M+Na-2H]- 398.22137 192.5
[M]+ 377.24615 182.1
[M]- 377.24725 182.1
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.