CID 41462

Buthidazole

Structural Information

Molecular Formula
C10H16N4O2S
SMILES
CC(C)(C)C1=NN=C(S1)N2C(CN(C2=O)C)O
InChI
InChI=1S/C10H16N4O2S/c1-10(2,3)7-11-12-8(17-7)14-6(15)5-13(4)9(14)16/h6,15H,5H2,1-4H3
InChIKey
SWMGXKSQWDSBKV-UHFFFAOYSA-N
Compound name
3-(5-tert-butyl-1,3,4-thiadiazol-2-yl)-4-hydroxy-1-methylimidazolidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

5318
Patents

256.0994 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.10668 161.1
[M+Na]+ 279.08862 170.2
[M+NH4]+ 274.13322 166.6
[M+K]+ 295.06256 168.6
[M-H]- 255.09212 159.9
[M+Na-2H]- 277.07407 162.9
[M]+ 256.09885 162.2
[M]- 256.09995 162.2
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