CID 16073676

5-(2,2-dimethylpropanoyl)-4-hydroxy-3-methoxy-n-phenethyl-thiophene-2-carboxamide

Structural Information

Molecular Formula
C19H23NO4S
SMILES
CC(C)(C)C(=O)C1=C(C(=C(S1)C(=O)NCCC2=CC=CC=C2)OC)O
InChI
InChI=1S/C19H23NO4S/c1-19(2,3)17(22)15-13(21)14(24-4)16(25-15)18(23)20-11-10-12-8-6-5-7-9-12/h5-9,21H,10-11H2,1-4H3,(H,20,23)
InChIKey
JOLOEZLUQVMTPJ-UHFFFAOYSA-N
Compound name
5-(2,2-dimethylpropanoyl)-4-hydroxy-3-methoxy-N-(2-phenylethyl)thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

361.13477 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.14205 187.3
[M+Na]+ 384.12399 193.0
[M-H]- 360.12749 192.9
[M+NH4]+ 379.16859 201.4
[M+K]+ 400.09793 189.2
[M+H-H2O]+ 344.13203 180.6
[M+HCOO]- 406.13297 202.7
[M+CH3COO]- 420.14862 213.8
[M+Na-2H]- 382.10944 184.9
[M]+ 361.13422 192.3
[M]- 361.13532 192.3
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.