CID 3008819

1-(4-methyl-thiazol-2-yl)-3-((r)-2-phenyl-propyl)-thiourea

Structural Information

Molecular Formula
C14H17N3S2
SMILES
CC1=CSC(=N1)NC(=S)NC[C@H](C)C2=CC=CC=C2
InChI
InChI=1S/C14H17N3S2/c1-10(12-6-4-3-5-7-12)8-15-13(18)17-14-16-11(2)9-19-14/h3-7,9-10H,8H2,1-2H3,(H2,15,16,17,18)/t10-/m0/s1
InChIKey
MAUYWYLYBFATHI-JTQLQIEISA-N
Compound name
1-(4-methyl-1,3-thiazol-2-yl)-3-[(2R)-2-phenylpropyl]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

291.0864 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.09368 164.6
[M+Na]+ 314.07562 171.2
[M-H]- 290.07912 169.8
[M+NH4]+ 309.12022 180.9
[M+K]+ 330.04956 165.3
[M+H-H2O]+ 274.08366 157.1
[M+HCOO]- 336.08460 177.8
[M+CH3COO]- 350.10025 203.1
[M+Na-2H]- 312.06107 163.8
[M]+ 291.08585 165.3
[M]- 291.08695 165.3
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.