CID 6434620

Brn 0694787

Structural Information

Molecular Formula
C20H13ClN2OS
SMILES
C1=CC=C2C=C(C=CC2=C1)/C=C\3/C(=O)N(C(=S)N3)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C20H13ClN2OS/c21-16-7-9-17(10-8-16)23-19(24)18(22-20(23)25)12-13-5-6-14-3-1-2-4-15(14)11-13/h1-12H,(H,22,25)/b18-12-
InChIKey
UMYCHHJDYDOPCG-PDGQHHTCSA-N
Compound name
(5Z)-3-(4-chlorophenyl)-5-(naphthalen-2-ylmethylidene)-2-sulfanylideneimidazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.0437 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.05098 185.7
[M+Na]+ 387.03292 196.6
[M-H]- 363.03642 192.9
[M+NH4]+ 382.07752 199.3
[M+K]+ 403.00686 186.5
[M+H-H2O]+ 347.04096 177.8
[M+HCOO]- 409.04190 194.3
[M+CH3COO]- 423.05755 195.7
[M+Na-2H]- 385.01837 183.9
[M]+ 364.04315 186.1
[M]- 364.04425 186.1
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.