CID 392769

Nsc693593

Structural Information

Molecular Formula
C16H13N3O3S
SMILES
C1C(ON=C1C2=NC3=CC=CC=C3N2)S(=O)(=O)C4=CC=CC=C4
InChI
InChI=1S/C16H13N3O3S/c20-23(21,11-6-2-1-3-7-11)15-10-14(19-22-15)16-17-12-8-4-5-9-13(12)18-16/h1-9,15H,10H2,(H,17,18)
InChIKey
RDKXKORHCNFKAX-UHFFFAOYSA-N
Compound name
5-(benzenesulfonyl)-3-(1H-benzimidazol-2-yl)-4,5-dihydro-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

327.06775 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.075026 172.5
[M+Na]+ 350.056968 183.9
[M-H]- 326.060474 180.6
[M+NH4]+ 345.101573 185.7
[M+K]+ 366.030908 179.4
[M+H-H2O]+ 310.065010 165.6
[M+HCOO]- 372.065951 187.7
[M+CH3COO]- 386.081601 184.3
[M+Na-2H]- 348.042416 175.7
[M]+ 327.06720142 176.3
[M]- 327.06829858 176.3
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.