CID 5273592

2-(1-adamantyl)quinoline-3-carbohydrazide

Structural Information

Molecular Formula
C20H23N3O
SMILES
C1C2CC3CC1CC(C2)(C3)C4=NC5=CC=CC=C5C=C4C(=O)NN
InChI
InChI=1S/C20H23N3O/c21-23-19(24)16-8-15-3-1-2-4-17(15)22-18(16)20-9-12-5-13(10-20)7-14(6-12)11-20/h1-4,8,12-14H,5-7,9-11,21H2,(H,23,24)
InChIKey
APTQRTBNJWRNJY-UHFFFAOYSA-N
Compound name
2-(1-adamantyl)quinoline-3-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

321.1841 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.19138 167.2
[M+Na]+ 344.17332 168.2
[M-H]- 320.17682 164.1
[M+NH4]+ 339.21792 186.3
[M+K]+ 360.14726 163.1
[M+H-H2O]+ 304.18136 156.7
[M+HCOO]- 366.18230 172.2
[M+CH3COO]- 380.19795 173.3
[M+Na-2H]- 342.15877 177.7
[M]+ 321.18355 164.4
[M]- 321.18465 164.4
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.