CID 3079252

Brn 4214097

Structural Information

Molecular Formula
C13H15N5O5S2
SMILES
COC1=CC=C(C=C1)S(=O)(=O)NNC(=O)CCC(=O)NC2=NN=CS2
InChI
InChI=1S/C13H15N5O5S2/c1-23-9-2-4-10(5-3-9)25(21,22)18-16-12(20)7-6-11(19)15-13-17-14-8-24-13/h2-5,8,18H,6-7H2,1H3,(H,16,20)(H,15,17,19)
InChIKey
WNVFRTRLIPOVMY-UHFFFAOYSA-N
Compound name
4-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-4-oxo-N-(1,3,4-thiadiazol-2-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.05145 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.05873 183.1
[M+Na]+ 408.04067 188.2
[M-H]- 384.04417 186.8
[M+NH4]+ 403.08527 192.7
[M+K]+ 424.01461 183.8
[M+H-H2O]+ 368.04871 174.6
[M+HCOO]- 430.04965 196.3
[M+CH3COO]- 444.06530 216.8
[M+Na-2H]- 406.02612 186.5
[M]+ 385.05090 186.8
[M]- 385.05200 186.8
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.