CID 1913704

2-furancarboxamide, 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
C25H22N2O5
SMILES
CC1=C2COC(CC2=C3C(=C(OC3=N1)C(=O)C4=CC=CC=C4)NC(=O)C5=CC=CO5)(C)C
InChI
InChI=1S/C25H22N2O5/c1-14-17-13-31-25(2,3)12-16(17)19-20(27-23(29)18-10-7-11-30-18)22(32-24(19)26-14)21(28)15-8-5-4-6-9-15/h4-11H,12-13H2,1-3H3,(H,27,29)
InChIKey
XNXAJBAHRZVKQG-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)furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.15286 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.16014 199.7
[M+Na]+ 453.14208 213.7
[M+NH4]+ 448.18668 207.6
[M+K]+ 469.11602 210.0
[M-H]- 429.14558 208.9
[M+Na-2H]- 451.12753 205.5
[M]+ 430.15231 204.5
[M]- 430.15341 204.5
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.