CID 3071465

1h-imidazole-4-sulfonamide, 5-chloro-n-(2-(4-hydroxyphenyl)ethyl)-1-methyl-

Structural Information

Molecular Formula
C12H14ClN3O3S
SMILES
CN1C=NC(=C1Cl)S(=O)(=O)NCCC2=CC=C(C=C2)O
InChI
InChI=1S/C12H14ClN3O3S/c1-16-8-14-12(11(16)13)20(18,19)15-7-6-9-2-4-10(17)5-3-9/h2-5,8,15,17H,6-7H2,1H3
InChIKey
CBRRMJNUOKMRGL-UHFFFAOYSA-N
Compound name
5-chloro-N-[2-(4-hydroxyphenyl)ethyl]-1-methylimidazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

315.04443 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.05171 170.0
[M+Na]+ 338.03365 181.5
[M+NH4]+ 333.07825 176.0
[M+K]+ 354.00759 176.0
[M-H]- 314.03715 171.0
[M+Na-2H]- 336.01910 175.2
[M]+ 315.04388 172.4
[M]- 315.04498 172.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe