CID 16727637

Chembl389515

Structural Information

Molecular Formula
C32H47N3O
SMILES
CCCCCCN(CCCCCC)NC(=O)C1=NC2=CC=CC=C2C(=C1)C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C32H47N3O/c1-3-5-7-11-15-35(16-12-8-6-4-2)34-31(36)30-20-28(27-13-9-10-14-29(27)33-30)32-21-24-17-25(22-32)19-26(18-24)23-32/h9-10,13-14,20,24-26H,3-8,11-12,15-19,21-23H2,1-2H3,(H,34,36)
InChIKey
SXBFBZHTBWRJAE-UHFFFAOYSA-N
Compound name
4-(1-adamantyl)-N',N'-dihexylquinoline-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

489.37192 Da
Monoisotopic Mass

10.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 490.37920 219.3
[M+Na]+ 512.36114 214.1
[M-H]- 488.36464 214.6
[M+NH4]+ 507.40574 231.8
[M+K]+ 528.33508 208.4
[M+H-H2O]+ 472.36918 205.9
[M+HCOO]- 534.37012 220.5
[M+CH3COO]- 548.38577 220.2
[M+Na-2H]- 510.34659 223.2
[M]+ 489.37137 220.8
[M]- 489.37247 220.8
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.