CID 3001099

172505-85-0

Structural Information

Molecular Formula
C10H11N3OS2
SMILES
C1=COC(=C1)CCNC(=S)NC2=NC=CS2
InChI
InChI=1S/C10H11N3OS2/c15-9(13-10-12-5-7-16-10)11-4-3-8-2-1-6-14-8/h1-2,5-7H,3-4H2,(H2,11,12,13,15)
InChIKey
HSLMRTQANDUJDA-UHFFFAOYSA-N
Compound name
1-[2-(furan-2-yl)ethyl]-3-(1,3-thiazol-2-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

253.03435 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.04163 153.4
[M+Na]+ 276.02357 162.7
[M-H]- 252.02707 160.4
[M+NH4]+ 271.06817 171.9
[M+K]+ 291.99751 159.2
[M+H-H2O]+ 236.03161 147.0
[M+HCOO]- 298.03255 171.0
[M+CH3COO]- 312.04820 166.2
[M+Na-2H]- 274.00902 155.0
[M]+ 253.03380 157.2
[M]- 253.03490 157.2
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.