CID 6399216

Gloxazone

Structural Information

Molecular Formula
C8H16N6OS2
SMILES
CCOC(C)C(=NNC(=S)N)C=NNC(=S)N
InChI
InChI=1S/C8H16N6OS2/c1-3-15-5(2)6(12-14-8(10)17)4-11-13-7(9)16/h4-5H,3H2,1-2H3,(H3,9,13,16)(H3,10,14,17)
InChIKey
ARIFZLJIERKKEL-UHFFFAOYSA-N
Compound name
[[1-(carbamothioylhydrazinylidene)-3-ethoxybutan-2-ylidene]amino]thiourea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

27
Patents

276.0827 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.089976 159.9
[M+Na]+ 299.071918 161.2
[M-H]- 275.075424 160.0
[M+NH4]+ 294.116523 174.2
[M+K]+ 315.045858 157.9
[M+H-H2O]+ 259.079960 150.3
[M+HCOO]- 321.080901 174.5
[M+CH3COO]- 335.096551 214.8
[M+Na-2H]- 297.057366 158.2
[M]+ 276.08215142 156.5
[M]- 276.08324858 156.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe