CID 3002853

(5r)-5-(4-phenylphenyl)-2-thioxoimidazolidin-4-one

Structural Information

Molecular Formula
C15H12N2OS
SMILES
C1=CC=C(C=C1)C2=CC=C(C=C2)[C@@H]3C(=O)NC(=S)N3
InChI
InChI=1S/C15H12N2OS/c18-14-13(16-15(19)17-14)12-8-6-11(7-9-12)10-4-2-1-3-5-10/h1-9,13H,(H2,16,17,18,19)/t13-/m1/s1
InChIKey
HEVWBKNMCVDDIQ-CYBMUJFWSA-N
Compound name
(5R)-5-(4-phenylphenyl)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.06705 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.07433 160.3
[M+Na]+ 291.05627 169.1
[M-H]- 267.05977 165.4
[M+NH4]+ 286.10087 175.1
[M+K]+ 307.03021 161.3
[M+H-H2O]+ 251.06431 152.8
[M+HCOO]- 313.06525 174.0
[M+CH3COO]- 327.08090 171.1
[M+Na-2H]- 289.04172 159.7
[M]+ 268.06650 156.3
[M]- 268.06760 156.3
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.