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
3
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 144.2
[M+Na]+ 223.06240 152.4
[M-H]- 199.06590 145.5
[M+NH4]+ 218.10700 162.6
[M+K]+ 239.03634 150.3
[M+H-H2O]+ 183.07044 137.4
[M+HCOO]- 245.07138 161.5
[M+CH3COO]- 259.08703 185.8
[M+Na-2H]- 221.04785 146.5
[M]+ 200.07263 144.5
[M]- 200.07373 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