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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.11183 181.1
[M+Na]+ 376.09377 187.4
[M-H]- 352.09727 188.7
[M+NH4]+ 371.13837 193.2
[M+K]+ 392.06771 187.1
[M+H-H2O]+ 336.10181 173.2
[M+HCOO]- 398.10275 198.5
[M+CH3COO]- 412.11840 216.1
[M+Na-2H]- 374.07922 181.7
[M]+ 353.10400 187.4
[M]- 353.10510 187.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.