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: 5630
Patents: 256.0994 Da
Monoisotopic Mass: 1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	257.10668	160.7
[M+Na]+	279.08862	171.2
[M-H]-	255.09212	162.6
[M+NH4]+	274.13322	176.8
[M+K]+	295.06256	168.4
[M+H-H2O]+	239.09666	154.3
[M+HCOO]-	301.09760	172.6
[M+CH3COO]-	315.11325	190.9
[M+Na-2H]-	277.07407	157.8
[M]+	256.09885	163.0
[M]-	256.09995	163.0

Literature stripe

literature stripe

Patent stripe

patents stripe