CID 54711783

2-thiophenecarboxamide, 5-(2,2-dimethyl-1-oxopropyl)-3,4-dihydroxy-n-[2-(4-methoxyphenyl)ethyl]-

Structural Information

Molecular Formula
C19H23NO5S
SMILES
CC(C)(C)C(=O)C1=C(C(=C(S1)C(=O)NCCC2=CC=C(C=C2)OC)O)O
InChI
InChI=1S/C19H23NO5S/c1-19(2,3)17(23)15-13(21)14(22)16(26-15)18(24)20-10-9-11-5-7-12(25-4)8-6-11/h5-8,21-22H,9-10H2,1-4H3,(H,20,24)
InChIKey
QKNAVCUJLTUGLA-UHFFFAOYSA-N
Compound name
5-(2,2-dimethylpropanoyl)-3,4-dihydroxy-N-[2-(4-methoxyphenyl)ethyl]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.1297 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.136976 189.6
[M+Na]+ 400.118918 195.2
[M-H]- 376.122424 194.0
[M+NH4]+ 395.163523 202.4
[M+K]+ 416.092858 191.5
[M+H-H2O]+ 360.126960 183.2
[M+HCOO]- 422.127901 203.6
[M+CH3COO]- 436.143551 215.1
[M+Na-2H]- 398.104366 186.6
[M]+ 377.12915142 194.5
[M]- 377.13024858 194.5
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.