CID 1399791

Benzamide, n-(2-benzoyl-8,9-dihydro-5,8,8-trimethyl-6h-furo(2,3-b)pyrano(4,3-d)pyridin-1-yl)-

Structural Information

Molecular Formula
C27H24N2O4
SMILES
CC1=C2COC(CC2=C3C(=C(OC3=N1)C(=O)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5)(C)C
InChI
InChI=1S/C27H24N2O4/c1-16-20-15-32-27(2,3)14-19(20)21-22(29-25(31)18-12-8-5-9-13-18)24(33-26(21)28-16)23(30)17-10-6-4-7-11-17/h4-13H,14-15H2,1-3H3,(H,29,31)
InChIKey
ZUKLSMZFEFWTRF-UHFFFAOYSA-N
Compound name
N-(4-benzoyl-8,12,12-trimethyl-5,11-dioxa-7-azatricyclo[7.4.0.02,6]trideca-1,3,6,8-tetraen-3-yl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

440.1736 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.18088 206.0
[M+Na]+ 463.16282 221.7
[M+NH4]+ 458.20742 214.5
[M+K]+ 479.13676 214.1
[M-H]- 439.16632 215.2
[M+Na-2H]- 461.14827 213.9
[M]+ 440.17305 211.2
[M]- 440.17415 211.2
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.