CID 16727636

Chembl223111

Structural Information

Molecular Formula
C26H31N3O
SMILES
C=CCN(CC=C)NC(=O)C1=NC2=CC=CC=C2C(=C1)C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C26H31N3O/c1-3-9-29(10-4-2)28-25(30)24-14-22(21-7-5-6-8-23(21)27-24)26-15-18-11-19(16-26)13-20(12-18)17-26/h3-8,14,18-20H,1-2,9-13,15-17H2,(H,28,30)
InChIKey
KCEPHOANTXSLKC-UHFFFAOYSA-N
Compound name
4-(1-adamantyl)-N',N'-bis(prop-2-enyl)quinoline-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

401.2467 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.253976 191.2
[M+Na]+ 424.235918 189.5
[M-H]- 400.239424 188.1
[M+NH4]+ 419.280523 207.3
[M+K]+ 440.209858 183.7
[M+H-H2O]+ 384.243960 179.1
[M+HCOO]- 446.244901 195.0
[M+CH3COO]- 460.260551 195.1
[M+Na-2H]- 422.221366 198.4
[M]+ 401.24615142 190.1
[M]- 401.24724858 190.1
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.