CID 16073677

2-thiophenecarboxamide, 5-(2,2-dimethyl-1-oxopropyl)-3,4-dimethoxy-n-(2-phenylethyl)-

Structural Information

Molecular Formula
C20H25NO4S
SMILES
CC(C)(C)C(=O)C1=C(C(=C(S1)C(=O)NCCC2=CC=CC=C2)OC)OC
InChI
InChI=1S/C20H25NO4S/c1-20(2,3)18(22)16-14(24-4)15(25-5)17(26-16)19(23)21-12-11-13-9-7-6-8-10-13/h6-10H,11-12H2,1-5H3,(H,21,23)
InChIKey
DFIDSCCCCVPLCG-UHFFFAOYSA-N
Compound name
5-(2,2-dimethylpropanoyl)-3,4-dimethoxy-N-(2-phenylethyl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.15042 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.15770 191.8
[M+Na]+ 398.13964 197.5
[M-H]- 374.14314 198.7
[M+NH4]+ 393.18424 206.1
[M+K]+ 414.11358 194.4
[M+H-H2O]+ 358.14768 184.7
[M+HCOO]- 420.14862 208.4
[M+CH3COO]- 434.16427 219.1
[M+Na-2H]- 396.12509 189.3
[M]+ 375.14987 199.0
[M]- 375.15097 199.0
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.