CID 86180703

Buthidazole urea

Structural Information

Molecular Formula
C7H12N4OS
SMILES
CC(C)(C)C1=NN=C(S1)NC(=O)N
InChI
InChI=1S/C7H12N4OS/c1-7(2,3)4-10-11-6(13-4)9-5(8)12/h1-3H3,(H3,8,9,11,12)
InChIKey
HQECKTIAEXKUOS-UHFFFAOYSA-N
Compound name
(5-tert-butyl-1,3,4-thiadiazol-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1
Patents

200.07318 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.08046 144.4
[M+Na]+ 223.06240 151.9
[M+NH4]+ 218.10700 150.8
[M+K]+ 239.03634 148.8
[M-H]- 199.06590 144.1
[M+Na-2H]- 221.04785 147.5
[M]+ 200.07263 145.4
[M]- 200.07373 145.4
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

patents stripe