CID 3059258

76267-22-6

Structural Information

Molecular Formula
C9H15N3O2S
SMILES
CCN(C(=O)N)C(=O)NC1(CC=CS1)C
InChI
InChI=1S/C9H15N3O2S/c1-3-12(7(10)13)8(14)11-9(2)5-4-6-15-9/h4,6H,3,5H2,1-2H3,(H2,10,13)(H,11,14)
InChIKey
ZFOJRZMVZGWYJQ-UHFFFAOYSA-N
Compound name
1-carbamoyl-1-ethyl-3-(2-methyl-3H-thiophen-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.0885 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09578 152.0
[M+Na]+ 252.07772 156.8
[M+NH4]+ 247.12232 159.9
[M+K]+ 268.05166 152.0
[M-H]- 228.08122 153.0
[M+Na-2H]- 250.06317 156.0
[M]+ 229.08795 152.9
[M]- 229.08905 152.9
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

No patent data available for this compound.