CID 108323

55217-92-0

Structural Information

Molecular Formula
C13H16N4O6S2
SMILES
CN1C(=NC(=O)C2=C(C=C(C=C2OC)OC)OC)SC(=N1)S(=O)(=O)N
InChI
InChI=1S/C13H16N4O6S2/c1-17-12(24-13(16-17)25(14,19)20)15-11(18)10-8(22-3)5-7(21-2)6-9(10)23-4/h5-6H,1-4H3,(H2,14,19,20)
InChIKey
QLXOENLBTXWIND-UHFFFAOYSA-N
Compound name
2,4,6-trimethoxy-N-(3-methyl-5-sulfamoyl-1,3,4-thiadiazol-2-ylidene)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.05112 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.05840 185.9
[M+Na]+ 411.04034 195.3
[M-H]- 387.04384 191.8
[M+NH4]+ 406.08494 197.2
[M+K]+ 427.01428 191.5
[M+H-H2O]+ 371.04838 178.2
[M+HCOO]- 433.04932 199.9
[M+CH3COO]- 447.06497 219.8
[M+Na-2H]- 409.02579 185.9
[M]+ 388.05057 194.7
[M]- 388.05167 194.7
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.