CID 16727609

Chembl227683

Structural Information

Molecular Formula
C28H39N3O
SMILES
CCCCN(CCCC)NC(=O)C1=NC2=CC=CC=C2C(=C1)C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C28H39N3O/c1-3-5-11-31(12-6-4-2)30-27(32)26-16-24(23-9-7-8-10-25(23)29-26)28-17-20-13-21(18-28)15-22(14-20)19-28/h7-10,16,20-22H,3-6,11-15,17-19H2,1-2H3,(H,30,32)
InChIKey
DDEVSWOQIJNXOZ-UHFFFAOYSA-N
Compound name
4-(1-adamantyl)-N',N'-dibutylquinoline-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

433.30933 Da
Monoisotopic Mass

7.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.31661 202.3
[M+Na]+ 456.29855 199.1
[M-H]- 432.30205 198.7
[M+NH4]+ 451.34315 217.2
[M+K]+ 472.27249 194.0
[M+H-H2O]+ 416.30659 189.7
[M+HCOO]- 478.30753 205.0
[M+CH3COO]- 492.32318 205.1
[M+Na-2H]- 454.28400 208.4
[M]+ 433.30878 202.9
[M]- 433.30988 202.9
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.