CID 16727642

Chembl227374

Structural Information

Molecular Formula
C24H31N3O
SMILES
CCC(C)NNC(=O)C1=NC2=CC=CC=C2C(=C1)C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C24H31N3O/c1-3-15(2)26-27-23(28)22-11-20(19-6-4-5-7-21(19)25-22)24-12-16-8-17(13-24)10-18(9-16)14-24/h4-7,11,15-18,26H,3,8-10,12-14H2,1-2H3,(H,27,28)
InChIKey
WMNPGKNQYACTIK-UHFFFAOYSA-N
Compound name
4-(1-adamantyl)-N'-butan-2-ylquinoline-2-carbohydrazide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.2467 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.25398 184.5
[M+Na]+ 400.23592 183.1
[M-H]- 376.23942 180.8
[M+NH4]+ 395.28052 201.3
[M+K]+ 416.20986 178.1
[M+H-H2O]+ 360.24396 173.4
[M+HCOO]- 422.24490 187.5
[M+CH3COO]- 436.26055 188.7
[M+Na-2H]- 398.22137 192.7
[M]+ 377.24615 182.8
[M]- 377.24725 182.8
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.