CID 16727759

4-(1-adamantyl)-n',n'-dimethyl-quinoline-2-carbohydrazide

Structural Information

Molecular Formula
C22H27N3O
SMILES
CN(C)NC(=O)C1=NC2=CC=CC=C2C(=C1)C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C22H27N3O/c1-25(2)24-21(26)20-10-18(17-5-3-4-6-19(17)23-20)22-11-14-7-15(12-22)9-16(8-14)13-22/h3-6,10,14-16H,7-9,11-13H2,1-2H3,(H,24,26)
InChIKey
GIOSPLGXPLPERY-UHFFFAOYSA-N
Compound name
4-(1-adamantyl)-N',N'-dimethylquinoline-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.21542 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.22270 176.2
[M+Na]+ 372.20464 175.9
[M-H]- 348.20814 174.1
[M+NH4]+ 367.24924 194.7
[M+K]+ 388.17858 171.9
[M+H-H2O]+ 332.21268 164.8
[M+HCOO]- 394.21362 181.3
[M+CH3COO]- 408.22927 181.8
[M+Na-2H]- 370.19009 185.5
[M]+ 349.21487 175.5
[M]- 349.21597 175.5
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.