CID 1263189

N-(4-hydroxy-3,5-dimethylphenyl)-2,5-dimethylthiophene-3-sulfonamide

Structural Information

Molecular Formula
C14H17NO3S2
SMILES
CC1=CC(=CC(=C1O)C)NS(=O)(=O)C2=C(SC(=C2)C)C
InChI
InChI=1S/C14H17NO3S2/c1-8-5-12(6-9(2)14(8)16)15-20(17,18)13-7-10(3)19-11(13)4/h5-7,15-16H,1-4H3
InChIKey
IWORMWOSTFKLJS-UHFFFAOYSA-N
Compound name
N-(4-hydroxy-3,5-dimethylphenyl)-2,5-dimethylthiophene-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

54
Patents

311.06497 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.072246 168.7
[M+Na]+ 334.054188 178.8
[M-H]- 310.057694 175.1
[M+NH4]+ 329.098793 185.8
[M+K]+ 350.028128 172.7
[M+H-H2O]+ 294.062230 163.2
[M+HCOO]- 356.063171 181.7
[M+CH3COO]- 370.078821 203.5
[M+Na-2H]- 332.039636 167.7
[M]+ 311.06442142 173.5
[M]- 311.06551858 173.5
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

patents stripe