CID 16727553

Chembl227657

Structural Information

Molecular Formula
C25H25N3O2
SMILES
C1C2CC3CC1CC(C2)(C3)C4=CC(=NC5=CC=CC=C54)C(=O)N/N=C/C6=CC=CO6
InChI
InChI=1S/C25H25N3O2/c29-24(28-26-15-19-4-3-7-30-19)23-11-21(20-5-1-2-6-22(20)27-23)25-12-16-8-17(13-25)10-18(9-16)14-25/h1-7,11,15-18H,8-10,12-14H2,(H,28,29)/b26-15+
InChIKey
FMHIXDPUIFTANN-CVKSISIWSA-N
Compound name
4-(1-adamantyl)-N-[(E)-furan-2-ylmethylideneamino]quinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

399.19467 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.20195 177.8
[M+Na]+ 422.18389 179.3
[M-H]- 398.18739 180.3
[M+NH4]+ 417.22849 194.7
[M+K]+ 438.15783 174.9
[M+H-H2O]+ 382.19193 165.8
[M+HCOO]- 444.19287 186.3
[M+CH3COO]- 458.20852 184.6
[M+Na-2H]- 420.16934 187.6
[M]+ 399.19412 179.8
[M]- 399.19522 179.8
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.