CID 3086074

Acetamide, n-(4-((2-hydroxyethyl)sulfonyl)-2-methoxy-5-methylphenyl)-

Structural Information

Molecular Formula
C12H17NO5S
SMILES
CC1=CC(=C(C=C1S(=O)(=O)CCO)OC)NC(=O)C
InChI
InChI=1S/C12H17NO5S/c1-8-6-10(13-9(2)15)11(18-3)7-12(8)19(16,17)5-4-14/h6-7,14H,4-5H2,1-3H3,(H,13,15)
InChIKey
KHUNDNDPUBIRLI-UHFFFAOYSA-N
Compound name
N-[4-(2-hydroxyethylsulfonyl)-2-methoxy-5-methylphenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

8
Patents

287.08273 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.09001 161.5
[M+Na]+ 310.07195 169.0
[M-H]- 286.07545 164.2
[M+NH4]+ 305.11655 176.9
[M+K]+ 326.04589 166.2
[M+H-H2O]+ 270.07999 155.3
[M+HCOO]- 332.08093 178.1
[M+CH3COO]- 346.09658 198.7
[M+Na-2H]- 308.05740 163.1
[M]+ 287.08218 166.9
[M]- 287.08328 166.9
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