CID 3079253

Brn 4218233

Structural Information

Molecular Formula
C14H16N6O6S2
SMILES
COC(=O)NC1=CC=C(C=C1)S(=O)(=O)NNC(=O)CCC(=O)NC2=NN=CS2
InChI
InChI=1S/C14H16N6O6S2/c1-26-14(23)16-9-2-4-10(5-3-9)28(24,25)20-18-12(22)7-6-11(21)17-13-19-15-8-27-13/h2-5,8,20H,6-7H2,1H3,(H,16,23)(H,18,22)(H,17,19,21)
InChIKey
IYEWCTWAUTXHRP-UHFFFAOYSA-N
Compound name
methyl N-[4-[[[4-oxo-4-(1,3,4-thiadiazol-2-ylamino)butanoyl]amino]sulfamoyl]phenyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.05728 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.06456 189.0
[M+Na]+ 451.04650 191.9
[M+NH4]+ 446.09110 190.5
[M+K]+ 467.02044 189.9
[M-H]- 427.05000 188.1
[M+Na-2H]- 449.03195 191.9
[M]+ 428.05673 189.0
[M]- 428.05783 189.0
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.