CID 16727549

Chembl390817

Structural Information

Molecular Formula
C24H29N3O
SMILES
CC(C)/C=N/NC(=O)C1=NC2=CC=CC=C2C(=C1)C34CC5CC(C3)CC(C5)C4
InChI
InChI=1S/C24H29N3O/c1-15(2)14-25-27-23(28)22-10-20(19-5-3-4-6-21(19)26-22)24-11-16-7-17(12-24)9-18(8-16)13-24/h3-6,10,14-18H,7-9,11-13H2,1-2H3,(H,27,28)/b25-14+
InChIKey
FKMIAXDKXOTFJA-AFUMVMLFSA-N
Compound name
4-(1-adamantyl)-N-[(E)-2-methylpropylideneamino]quinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.23105 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.23833 183.9
[M+Na]+ 398.22027 183.0
[M-H]- 374.22377 181.4
[M+NH4]+ 393.26487 201.3
[M+K]+ 414.19421 178.1
[M+H-H2O]+ 358.22831 172.2
[M+HCOO]- 420.22925 188.4
[M+CH3COO]- 434.24490 188.7
[M+Na-2H]- 396.20572 192.2
[M]+ 375.23050 182.9
[M]- 375.23160 182.9
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.