CID 3044208

Brn 1632432

Structural Information

Molecular Formula
C28H25NO6
SMILES
C1OC2=C(O1)C=C(C=C2)CCC(CCC3=CC4=C(C=C3)OCO4)NC(=O)C5=CC6=CC=CC=C6O5
InChI
InChI=1S/C28H25NO6/c30-28(27-15-20-3-1-2-4-22(20)35-27)29-21(9-5-18-7-11-23-25(13-18)33-16-31-23)10-6-19-8-12-24-26(14-19)34-17-32-24/h1-4,7-8,11-15,21H,5-6,9-10,16-17H2,(H,29,30)
InChIKey
KGQCVLSQDJPTKZ-UHFFFAOYSA-N
Compound name
N-[1,5-bis(1,3-benzodioxol-5-yl)pentan-3-yl]-1-benzofuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

471.16818 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 472.17546 208.4
[M+Na]+ 494.15740 214.0
[M-H]- 470.16090 223.9
[M+NH4]+ 489.20200 216.8
[M+K]+ 510.13134 215.4
[M+H-H2O]+ 454.16544 204.8
[M+HCOO]- 516.16638 224.3
[M+CH3COO]- 530.18203 218.1
[M+Na-2H]- 492.14285 208.2
[M]+ 471.16763 216.7
[M]- 471.16873 216.7
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.