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]+ 288.090006 161.5
[M+Na]+ 310.071948 169.0
[M-H]- 286.075454 164.2
[M+NH4]+ 305.116553 176.9
[M+K]+ 326.045888 166.2
[M+H-H2O]+ 270.079990 155.3
[M+HCOO]- 332.080931 178.1
[M+CH3COO]- 346.096581 198.7
[M+Na-2H]- 308.057396 163.1
[M]+ 287.08218142 166.9
[M]- 287.08327858 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