CID 3076094

(4-oxo-2-phenyl-3-thiazolidinyl)thiourea

Structural Information

Molecular Formula
C10H11N3OS2
SMILES
C1C(=O)N(C(S1)C2=CC=CC=C2)NC(=S)N
InChI
InChI=1S/C10H11N3OS2/c11-10(15)12-13-8(14)6-16-9(13)7-4-2-1-3-5-7/h1-5,9H,6H2,(H3,11,12,15)
InChIKey
XBDKJIBMTFJBRB-UHFFFAOYSA-N
Compound name
(4-oxo-2-phenyl-1,3-thiazolidin-3-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.03435 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.04163 152.2
[M+Na]+ 276.02357 160.6
[M+NH4]+ 271.06817 160.2
[M+K]+ 291.99751 153.5
[M-H]- 252.02707 155.6
[M+Na-2H]- 274.00902 156.7
[M]+ 253.03380 154.9
[M]- 253.03490 154.9
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.