CID 388191

Nsc682759

Structural Information

Molecular Formula
C24H21NO6
SMILES
C1CC(C(CC12CC(=O)NC3=CC=CC=C3C2=O)C(=O)C4=CC=CO4)(C5=CC=CO5)O
InChI
InChI=1S/C24H21NO6/c26-20-14-23(22(28)15-5-1-2-6-17(15)25-20)9-10-24(29,19-8-4-12-31-19)16(13-23)21(27)18-7-3-11-30-18/h1-8,11-12,16,29H,9-10,13-14H2,(H,25,26)
InChIKey
QOIBTJCCEGZCMA-UHFFFAOYSA-N
Compound name
2'-(furan-2-carbonyl)-1'-(furan-2-yl)-1'-hydroxyspiro[1,3-dihydro-1-benzazepine-4,4'-cyclohexane]-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.1369 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.14418 198.9
[M+Na]+ 442.12612 205.3
[M-H]- 418.12962 210.6
[M+NH4]+ 437.17072 210.8
[M+K]+ 458.10006 204.6
[M+H-H2O]+ 402.13416 191.9
[M+HCOO]- 464.13510 212.0
[M+CH3COO]- 478.15075 207.6
[M+Na-2H]- 440.11157 198.4
[M]+ 419.13635 195.1
[M]- 419.13745 195.1
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

No patent data available for this compound.