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]+ 376.238326 183.9
[M+Na]+ 398.220268 183.0
[M-H]- 374.223774 181.4
[M+NH4]+ 393.264873 201.3
[M+K]+ 414.194208 178.1
[M+H-H2O]+ 358.228310 172.2
[M+HCOO]- 420.229251 188.4
[M+CH3COO]- 434.244901 188.7
[M+Na-2H]- 396.205716 192.2
[M]+ 375.23050142 182.9
[M]- 375.23159858 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.