CID 281348

Nsc134124

Structural Information

Molecular Formula
C17H17N5O5S
SMILES
CC1=NC(=NC=C1)NS(=O)(=O)C2=CC=C(C=C2)N=NC3(CCOC3=O)C(=O)C
InChI
InChI=1S/C17H17N5O5S/c1-11-7-9-18-16(19-11)21-28(25,26)14-5-3-13(4-6-14)20-22-17(12(2)23)8-10-27-15(17)24/h3-7,9H,8,10H2,1-2H3,(H,18,19,21)
InChIKey
QVALLBLMUZACOI-UHFFFAOYSA-N
Compound name
4-[(3-acetyl-2-oxooxolan-3-yl)diazenyl]-N-(4-methylpyrimidin-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

403.09503 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 404.10231 189.8
[M+Na]+ 426.08425 197.0
[M-H]- 402.08775 200.7
[M+NH4]+ 421.12885 200.6
[M+K]+ 442.05819 195.4
[M+H-H2O]+ 386.09229 180.7
[M+HCOO]- 448.09323 209.3
[M+CH3COO]- 462.10888 227.3
[M+Na-2H]- 424.06970 195.5
[M]+ 403.09448 194.6
[M]- 403.09558 194.6
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.