CID 10571681

149456-98-4

Structural Information

Molecular Formula

C₁₇H₁₈N₂O₆S

SMILES

COC1=CC(=C(C=C1C(=O)CNC=O)OC2=CC=CC=C2)NS(=O)(=O)C

InChI

InChI=1S/C17H18N2O6S/c1-24-16-9-14(19-26(2,22)23)17(25-12-6-4-3-5-7-12)8-13(16)15(21)10-18-11-20/h3-9,11,19H,10H2,1-2H3,(H,18,20)

InChIKey

OVFGHIVRJWQONU-UHFFFAOYSA-N

Compound name

N-[2-[4-(methanesulfonamido)-2-methoxy-5-phenoxyphenyl]-2-oxoethyl]formamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 378.08856 Da
Monoisotopic Mass: 1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	379.095836	184.0
[M+Na]+	401.077778	190.0
[M-H]-	377.081284	190.6
[M+NH4]+	396.122383	195.1
[M+K]+	417.051718	186.8
[M+H-H2O]+	361.085820	175.2
[M+HCOO]-	423.086761	203.3
[M+CH3COO]-	437.102411	219.3
[M+Na-2H]-	399.063226	187.4
[M]+	378.08801142	190.4
[M]-	378.08910858	190.4

Literature stripe

literature stripe

Patent stripe

patents stripe