CID 3067502

Brn 5157578

Structural Information

Molecular Formula
C16H18N4O6S
SMILES
C=CCNC(=O)C(=O)NC1=CC=C(C=C1)S(=O)(=O)NC(=O)C(=O)NCC=C
InChI
InChI=1S/C16H18N4O6S/c1-3-9-17-13(21)15(23)19-11-5-7-12(8-6-11)27(25,26)20-16(24)14(22)18-10-4-2/h3-8H,1-2,9-10H2,(H,17,21)(H,18,22)(H,19,23)(H,20,24)
InChIKey
JJTNPZAYTSHKFE-UHFFFAOYSA-N
Compound name
N'-[4-[[2-oxo-2-(prop-2-enylamino)acetyl]sulfamoyl]phenyl]-N-prop-2-enyloxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

394.0947 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 395.10198 188.0
[M+Na]+ 417.08392 190.5
[M+NH4]+ 412.12852 188.6
[M+K]+ 433.05786 188.0
[M-H]- 393.08742 185.3
[M+Na-2H]- 415.06937 188.3
[M]+ 394.09415 186.9
[M]- 394.09525 186.9
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.