CID 16727633

Chembl227540

Structural Information

Molecular Formula
C26H26FN3O
SMILES
C1C2CC3CC1CC(C2)(C3)C4=CC(=NC5=CC=CC=C54)C(=O)NNC6=CC(=CC=C6)F
InChI
InChI=1S/C26H26FN3O/c27-19-4-3-5-20(11-19)29-30-25(31)24-12-22(21-6-1-2-7-23(21)28-24)26-13-16-8-17(14-26)10-18(9-16)15-26/h1-7,11-12,16-18,29H,8-10,13-15H2,(H,30,31)
InChIKey
CGONRVDHBRLQGB-UHFFFAOYSA-N
Compound name
4-(1-adamantyl)-N'-(3-fluorophenyl)quinoline-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

415.206 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.21328 186.1
[M+Na]+ 438.19522 186.2
[M-H]- 414.19872 184.6
[M+NH4]+ 433.23982 200.9
[M+K]+ 454.16916 179.6
[M+H-H2O]+ 398.20326 171.9
[M+HCOO]- 460.20420 189.8
[M+CH3COO]- 474.21985 190.3
[M+Na-2H]- 436.18067 195.4
[M]+ 415.20545 182.6
[M]- 415.20655 182.6
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.