CID 482051

1-(4,5-dimethylthiazol-2-yl)-3-phenethyl-urea

Structural Information

Molecular Formula
C14H17N3OS
SMILES
CC1=C(SC(=N1)NC(=O)NCCC2=CC=CC=C2)C
InChI
InChI=1S/C14H17N3OS/c1-10-11(2)19-14(16-10)17-13(18)15-9-8-12-6-4-3-5-7-12/h3-7H,8-9H2,1-2H3,(H2,15,16,17,18)
InChIKey
SQFNAYHJPRKHTH-UHFFFAOYSA-N
Compound name
1-(4,5-dimethyl-1,3-thiazol-2-yl)-3-(2-phenylethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

275.10922 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 276.11650 163.0
[M+Na]+ 298.09844 170.2
[M-H]- 274.10194 168.9
[M+NH4]+ 293.14304 179.9
[M+K]+ 314.07238 165.7
[M+H-H2O]+ 258.10648 155.0
[M+HCOO]- 320.10742 183.2
[M+CH3COO]- 334.12307 201.0
[M+Na-2H]- 296.08389 164.1
[M]+ 275.10867 165.0
[M]- 275.10977 165.0
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.