CID 249346

Nh94qf92zw

Structural Information

Molecular Formula
C17H15N3O5S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)N2C(=C(C(=O)O2)C3=CC=CC=C3)N
InChI
InChI=1S/C17H15N3O5S/c1-11(21)19-13-7-9-14(10-8-13)26(23,24)20-16(18)15(17(22)25-20)12-5-3-2-4-6-12/h2-10H,18H2,1H3,(H,19,21)
InChIKey
DPTCBOLHKLDFER-UHFFFAOYSA-N
Compound name
N-[4-[(3-amino-5-oxo-4-phenyl-1,2-oxazol-2-yl)sulfonyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

373.07324 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 374.08052 185.3
[M+Na]+ 396.06246 194.3
[M-H]- 372.06596 195.5
[M+NH4]+ 391.10706 196.0
[M+K]+ 412.03640 190.7
[M+H-H2O]+ 356.07050 177.1
[M+HCOO]- 418.07144 204.1
[M+CH3COO]- 432.08709 216.2
[M+Na-2H]- 394.04791 187.5
[M]+ 373.07269 189.2
[M]- 373.07379 189.2
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

No patent data available for this compound.