CID 6434616

Brn 0299565

Structural Information

Molecular Formula
C21H16N2OS
SMILES
CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC=CC4=CC=CC=C43)/NC2=S
InChI
InChI=1S/C21H16N2OS/c1-14-9-11-17(12-10-14)23-20(24)19(22-21(23)25)13-16-7-4-6-15-5-2-3-8-18(15)16/h2-13H,1H3,(H,22,25)/b19-13-
InChIKey
ILCNJTPDRSLPPL-UYRXBGFRSA-N
Compound name
(5Z)-3-(4-methylphenyl)-5-(naphthalen-1-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

344.09833 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 345.10561 182.0
[M+Na]+ 367.08755 197.7
[M+NH4]+ 362.13215 190.5
[M+K]+ 383.06149 187.9
[M-H]- 343.09105 187.7
[M+Na-2H]- 365.07300 189.7
[M]+ 344.09778 186.4
[M]- 344.09888 186.4
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.