CID 462667

Ro72844

Structural Information

Molecular Formula

C₁₅H₁₉N₃O₅S

SMILES

CC1=CC(=NO1)N(C(=O)COC(C)C)S(=O)(=O)C2=CC=C(C=C2)N

InChI

InChI=1S/C15H19N3O5S/c1-10(2)22-9-15(19)18(14-8-11(3)23-17-14)24(20,21)13-6-4-12(16)5-7-13/h4-8,10H,9,16H2,1-3H3

InChIKey

YRDHMGQBLDOBLU-UHFFFAOYSA-N

Compound name

N-(4-aminophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)-2-propan-2-yloxyacetamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 353.10455 Da
Monoisotopic Mass: 1.6
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]+	354.111826	181.1
[M+Na]+	376.093768	187.4
[M-H]-	352.097274	188.7
[M+NH4]+	371.138373	193.2
[M+K]+	392.067708	187.1
[M+H-H2O]+	336.101810	173.2
[M+HCOO]-	398.102751	198.5
[M+CH3COO]-	412.118401	216.1
[M+Na-2H]-	374.079216	181.7
[M]+	353.10400142	187.4
[M]-	353.10509858	187.4

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.