CID 281349

Nsc134125

Structural Information

Molecular Formula
C17H18N4O6S
SMILES
CC1=C(ON=C1C)NS(=O)(=O)C2=CC=C(C=C2)N=NC3(CCOC3=O)C(=O)C
InChI
InChI=1S/C17H18N4O6S/c1-10-11(2)19-27-15(10)20-28(24,25)14-6-4-13(5-7-14)18-21-17(12(3)22)8-9-26-16(17)23/h4-7,20H,8-9H2,1-3H3
InChIKey
VOUJPBIIZGLQJV-UHFFFAOYSA-N
Compound name
4-[(3-acetyl-2-oxooxolan-3-yl)diazenyl]-N-(3,4-dimethyl-1,2-oxazol-5-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

406.0947 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 407.10198 190.7
[M+Na]+ 429.08392 198.5
[M-H]- 405.08742 204.2
[M+NH4]+ 424.12852 203.6
[M+K]+ 445.05786 199.0
[M+H-H2O]+ 389.09196 184.5
[M+HCOO]- 451.09290 211.6
[M+CH3COO]- 465.10855 228.4
[M+Na-2H]- 427.06937 194.5
[M]+ 406.09415 198.4
[M]- 406.09525 198.4
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.