CID 281347

Nsc134123

Structural Information

Molecular Formula
C17H16N4O5S
SMILES
CC(=O)C1(CCOC1=O)N=NC2=CC=C(C=C2)S(=O)(=O)NC3=CC=CC=N3
InChI
InChI=1S/C17H16N4O5S/c1-12(22)17(9-11-26-16(17)23)21-19-13-5-7-14(8-6-13)27(24,25)20-15-4-2-3-10-18-15/h2-8,10H,9,11H2,1H3,(H,18,20)
InChIKey
WZGSRWZGMUIMAK-UHFFFAOYSA-N
Compound name
4-[(3-acetyl-2-oxooxolan-3-yl)diazenyl]-N-pyridin-2-ylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

388.08414 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.09142 186.1
[M+Na]+ 411.07336 192.5
[M-H]- 387.07686 197.9
[M+NH4]+ 406.11796 198.5
[M+K]+ 427.04730 191.0
[M+H-H2O]+ 371.08140 177.4
[M+HCOO]- 433.08234 206.9
[M+CH3COO]- 447.09799 223.2
[M+Na-2H]- 409.05881 192.3
[M]+ 388.08359 190.0
[M]- 388.08469 190.0
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.