CID 60264

108679-68-1

Structural Information

Molecular Formula
C16H14N4O4S2
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NNC(=O)C(=O)NC2=NC3=CC=CC=C3S2
InChI
InChI=1S/C16H14N4O4S2/c1-10-6-8-11(9-7-10)26(23,24)20-19-15(22)14(21)18-16-17-12-4-2-3-5-13(12)25-16/h2-9,20H,1H3,(H,19,22)(H,17,18,21)
InChIKey
FDGXRVZOVDMIOF-UHFFFAOYSA-N
Compound name
N-(1,3-benzothiazol-2-yl)-2-[2-(4-methylphenyl)sulfonylhydrazinyl]-2-oxoacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.04565 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.05293 185.9
[M+Na]+ 413.03487 193.4
[M-H]- 389.03837 192.2
[M+NH4]+ 408.07947 198.2
[M+K]+ 429.00881 187.8
[M+H-H2O]+ 373.04291 178.6
[M+HCOO]- 435.04385 200.4
[M+CH3COO]- 449.05950 218.8
[M+Na-2H]- 411.02032 191.4
[M]+ 390.04510 190.0
[M]- 390.04620 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.