CID 281350

Nsc134126

Structural Information

Molecular Formula
C15H15N5O5S2
SMILES
CC1=NN=C(S1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3(CCOC3=O)C(=O)C
InChI
InChI=1S/C15H15N5O5S2/c1-9(21)15(7-8-25-13(15)22)20-17-11-3-5-12(6-4-11)27(23,24)19-14-18-16-10(2)26-14/h3-6H,7-8H2,1-2H3,(H,18,19)
InChIKey
SEQHLNPJWFZWSM-UHFFFAOYSA-N
Compound name
4-[(3-acetyl-2-oxooxolan-3-yl)diazenyl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

409.05145 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.05873 190.7
[M+Na]+ 432.04067 198.8
[M-H]- 408.04417 201.6
[M+NH4]+ 427.08527 203.6
[M+K]+ 448.01461 196.8
[M+H-H2O]+ 392.04871 184.2
[M+HCOO]- 454.04965 206.5
[M+CH3COO]- 468.06530 225.0
[M+Na-2H]- 430.02612 194.3
[M]+ 409.05090 196.8
[M]- 409.05200 196.8
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.