CID 5273596

2-[2-(2-adamantyl)-4-quinolyl]acetohydrazide

Structural Information

Molecular Formula
C21H25N3O
SMILES
C1C2CC3CC1CC(C2)C3C4=NC5=CC=CC=C5C(=C4)CC(=O)NN
InChI
InChI=1S/C21H25N3O/c22-24-20(25)11-14-10-19(23-18-4-2-1-3-17(14)18)21-15-6-12-5-13(8-15)9-16(21)7-12/h1-4,10,12-13,15-16,21H,5-9,11,22H2,(H,24,25)
InChIKey
QKHZMVRDAPJNGL-UHFFFAOYSA-N
Compound name
2-[2-(2-adamantyl)quinolin-4-yl]acetohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.19977 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.20705 170.9
[M+Na]+ 358.18899 170.9
[M-H]- 334.19249 167.6
[M+NH4]+ 353.23359 187.7
[M+K]+ 374.16293 165.9
[M+H-H2O]+ 318.19703 161.2
[M+HCOO]- 380.19797 175.6
[M+CH3COO]- 394.21362 176.4
[M+Na-2H]- 356.17444 179.6
[M]+ 335.19922 168.4
[M]- 335.20032 168.4
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.