CID 11201186

Schembl12167705

Structural Information

Molecular Formula
C25H20N2O5
SMILES
C1CC2=C(C(=CC=C2)OC3=CC=C(C=C3)NC(=O)C4=CC=CO4)N(C1)C(=O)C5=CC=CO5
InChI
InChI=1S/C25H20N2O5/c28-24(21-8-3-15-30-21)26-18-10-12-19(13-11-18)32-20-7-1-5-17-6-2-14-27(23(17)20)25(29)22-9-4-16-31-22/h1,3-5,7-13,15-16H,2,6,14H2,(H,26,28)
InChIKey
UBFLTJWBDXZFOP-UHFFFAOYSA-N
Compound name
N-[4-[[1-(furan-2-carbonyl)-3,4-dihydro-2H-quinolin-8-yl]oxy]phenyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

428.1372 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.14448 198.3
[M+Na]+ 451.12642 203.8
[M-H]- 427.12992 212.4
[M+NH4]+ 446.17102 206.9
[M+K]+ 467.10036 202.0
[M+H-H2O]+ 411.13446 189.2
[M+HCOO]- 473.13540 218.3
[M+CH3COO]- 487.15105 208.1
[M+Na-2H]- 449.11187 198.7
[M]+ 428.13665 201.3
[M]- 428.13775 201.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe