CID 15956257

2-(2-adamantyl)quinoline-3-carbohydrazide

Structural Information

Molecular Formula
C20H23N3O
SMILES
C1C2CC3CC1CC(C2)C3C4=NC5=CC=CC=C5C=C4C(=O)NN
InChI
InChI=1S/C20H23N3O/c21-23-20(24)16-10-13-3-1-2-4-17(13)22-19(16)18-14-6-11-5-12(8-14)9-15(18)7-11/h1-4,10-12,14-15,18H,5-9,21H2,(H,23,24)
InChIKey
JQUCLBBCNNCMAK-UHFFFAOYSA-N
Compound name
2-(2-adamantyl)quinoline-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.1841 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.19138 166.5
[M+Na]+ 344.17332 167.0
[M-H]- 320.17682 163.5
[M+NH4]+ 339.21792 183.9
[M+K]+ 360.14726 162.1
[M+H-H2O]+ 304.18136 157.0
[M+HCOO]- 366.18230 171.5
[M+CH3COO]- 380.19795 172.5
[M+Na-2H]- 342.15877 175.7
[M]+ 321.18355 163.8
[M]- 321.18465 163.8
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.