CID 86180703

(5-tert-butyl-1,3,4-thiadiazol-2-yl)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

3
Patents

200.07318 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 201.080456 144.2
[M+Na]+ 223.062398 152.4
[M-H]- 199.065904 145.5
[M+NH4]+ 218.107003 162.6
[M+K]+ 239.036338 150.3
[M+H-H2O]+ 183.070440 137.4
[M+HCOO]- 245.071381 161.5
[M+CH3COO]- 259.087031 185.8
[M+Na-2H]- 221.047846 146.5
[M]+ 200.07263142 144.5
[M]- 200.07372858 144.5
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