CID 307028

1-cyclohexyl-3-(2-thiazolyl)urea

Structural Information

Molecular Formula
C10H15N3OS
SMILES
C1CCC(CC1)NC(=O)NC2=NC=CS2
InChI
InChI=1S/C10H15N3OS/c14-9(13-10-11-6-7-15-10)12-8-4-2-1-3-5-8/h6-8H,1-5H2,(H2,11,12,13,14)
InChIKey
QJIPEUZRZQIFSN-UHFFFAOYSA-N
Compound name
1-cyclohexyl-3-(1,3-thiazol-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

225.09358 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.100856 148.4
[M+Na]+ 248.082798 152.5
[M-H]- 224.086304 153.0
[M+NH4]+ 243.127403 166.5
[M+K]+ 264.056738 149.8
[M+H-H2O]+ 208.090840 140.7
[M+HCOO]- 270.091781 165.7
[M+CH3COO]- 284.107431 187.8
[M+Na-2H]- 246.068246 150.2
[M]+ 225.09303142 144.1
[M]- 225.09412858 144.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.