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 168.8
[M+Na]+ 338.03365 179.0
[M-H]- 314.03715 172.8
[M+NH4]+ 333.07825 183.3
[M+K]+ 354.00759 173.1
[M+H-H2O]+ 298.04169 162.2
[M+HCOO]- 360.04263 181.2
[M+CH3COO]- 374.05828 199.7
[M+Na-2H]- 336.01910 170.8
[M]+ 315.04388 174.0
[M]- 315.04498 174.0
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