CID 16727635

Chembl226982

Structural Information

Molecular Formula
C23H29N3O
SMILES
CCCNNC(=O)C1=NC2=CC=CC=C2C(=C1)C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C23H29N3O/c1-2-7-24-26-22(27)21-11-19(18-5-3-4-6-20(18)25-21)23-12-15-8-16(13-23)10-17(9-15)14-23/h3-6,11,15-17,24H,2,7-10,12-14H2,1H3,(H,26,27)
InChIKey
WWZFACXKKCRMRG-UHFFFAOYSA-N
Compound name
4-(1-adamantyl)-N'-propylquinoline-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.23105 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.23833 178.9
[M+Na]+ 386.22027 178.4
[M-H]- 362.22377 175.5
[M+NH4]+ 381.26487 196.4
[M+K]+ 402.19421 173.0
[M+H-H2O]+ 346.22831 167.6
[M+HCOO]- 408.22925 183.4
[M+CH3COO]- 422.24490 183.8
[M+Na-2H]- 384.20572 188.7
[M]+ 363.23050 177.6
[M]- 363.23160 177.6
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.