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]+ 328.07503 172.5
[M+Na]+ 350.05697 183.9
[M-H]- 326.06047 180.6
[M+NH4]+ 345.10157 185.7
[M+K]+ 366.03091 179.4
[M+H-H2O]+ 310.06501 165.6
[M+HCOO]- 372.06595 187.7
[M+CH3COO]- 386.08160 184.3
[M+Na-2H]- 348.04242 175.7
[M]+ 327.06720 176.3
[M]- 327.06830 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.