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 178.0
[M+Na]+ 353.07189 187.5
[M-H]- 329.07539 185.0
[M+NH4]+ 348.11649 191.9
[M+K]+ 369.04583 178.5
[M+H-H2O]+ 313.07993 169.5
[M+HCOO]- 375.08087 191.4
[M+CH3COO]- 389.09652 188.2
[M+Na-2H]- 351.05734 177.5
[M]+ 330.08212 175.9
[M]- 330.08322 175.9
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.