CID 16727634

Chembl223447

Structural Information

Molecular Formula
C26H35N3O
SMILES
CCCN(CCC)NC(=O)C1=NC2=CC=CC=C2C(=C1)C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C26H35N3O/c1-3-9-29(10-4-2)28-25(30)24-14-22(21-7-5-6-8-23(21)27-24)26-15-18-11-19(16-26)13-20(12-18)17-26/h5-8,14,18-20H,3-4,9-13,15-17H2,1-2H3,(H,28,30)
InChIKey
QHWUHHCENCFUCA-UHFFFAOYSA-N
Compound name
4-(1-adamantyl)-N',N'-dipropylquinoline-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

405.278 Da
Monoisotopic Mass

7.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 406.28528 193.7
[M+Na]+ 428.26722 191.5
[M-H]- 404.27072 190.6
[M+NH4]+ 423.31182 209.8
[M+K]+ 444.24116 186.7
[M+H-H2O]+ 388.27526 181.5
[M+HCOO]- 450.27620 197.2
[M+CH3COO]- 464.29185 197.4
[M+Na-2H]- 426.25267 200.8
[M]+ 405.27745 193.9
[M]- 405.27855 193.9
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.