CID 3079256

Brn 4212921

Structural Information

Molecular Formula
C14H16N4O5S2
SMILES
COC1=CC=C(C=C1)S(=O)(=O)NNC(=O)CCC(=O)NC2=NC=CS2
InChI
InChI=1S/C14H16N4O5S2/c1-23-10-2-4-11(5-3-10)25(21,22)18-17-13(20)7-6-12(19)16-14-15-8-9-24-14/h2-5,8-9,18H,6-7H2,1H3,(H,17,20)(H,15,16,19)
InChIKey
GGOOYOMHLLBRQZ-UHFFFAOYSA-N
Compound name
4-[2-(4-methoxyphenyl)sulfonylhydrazinyl]-4-oxo-N-(1,3-thiazol-2-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.0562 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.06348 184.6
[M+Na]+ 407.04542 189.2
[M-H]- 383.04892 189.3
[M+NH4]+ 402.09002 195.5
[M+K]+ 423.01936 184.8
[M+H-H2O]+ 367.05346 176.3
[M+HCOO]- 429.05440 198.6
[M+CH3COO]- 443.07005 216.9
[M+Na-2H]- 405.03087 187.4
[M]+ 384.05565 188.3
[M]- 384.05675 188.3
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.