CID 54693668

2-furancarboxamide, n-(1,1-dimethylethyl)-2,5-dihydro-3-hydroxy-2-methyl-5-oxo-4-[(3,4,5-trimethoxyphenyl)methyl]-

Structural Information

Molecular Formula
C20H27NO7
SMILES
CC1(C(=C(C(=O)O1)CC2=CC(=C(C(=C2)OC)OC)OC)O)C(=O)NC(C)(C)C
InChI
InChI=1S/C20H27NO7/c1-19(2,3)21-18(24)20(4)16(22)12(17(23)28-20)8-11-9-13(25-5)15(27-7)14(10-11)26-6/h9-10,22H,8H2,1-7H3,(H,21,24)
InChIKey
BXTBNWQAOZKZTN-UHFFFAOYSA-N
Compound name
N-tert-butyl-3-hydroxy-2-methyl-5-oxo-4-[(3,4,5-trimethoxyphenyl)methyl]furan-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

393.17874 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 394.18602 188.4
[M+Na]+ 416.16796 196.1
[M-H]- 392.17146 195.4
[M+NH4]+ 411.21256 202.0
[M+K]+ 432.14190 196.3
[M+H-H2O]+ 376.17600 183.1
[M+HCOO]- 438.17694 207.7
[M+CH3COO]- 452.19259 223.3
[M+Na-2H]- 414.15341 189.6
[M]+ 393.17819 197.3
[M]- 393.17929 197.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.