CID 6434618

Brn 0679076

Structural Information

Molecular Formula
C20H14N2OS
SMILES
C1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC4=CC=CC=C4C=C3)/NC2=S
InChI
InChI=1S/C20H14N2OS/c23-19-18(21-20(24)22(19)17-8-2-1-3-9-17)13-14-10-11-15-6-4-5-7-16(15)12-14/h1-13H,(H,21,24)/b18-13-
InChIKey
YUYNNRSNVDVFGC-AQTBWJFISA-N
Compound name
(5Z)-5-(naphthalen-2-ylmethylidene)-3-phenyl-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.08267 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.08995 177.1
[M+Na]+ 353.07189 192.6
[M+NH4]+ 348.11649 185.8
[M+K]+ 369.04583 183.0
[M-H]- 329.07539 182.8
[M+Na-2H]- 351.05734 185.3
[M]+ 330.08212 181.5
[M]- 330.08322 181.5
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.