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 202.8
[M+Na]+ 453.14208 211.6
[M-H]- 429.14558 216.2
[M+NH4]+ 448.18668 214.0
[M+K]+ 469.11602 210.6
[M+H-H2O]+ 413.15012 195.3
[M+HCOO]- 475.15106 220.1
[M+CH3COO]- 489.16671 213.4
[M+Na-2H]- 451.12753 203.7
[M]+ 430.15231 209.1
[M]- 430.15341 209.1
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.