CID 6434619

Brn 0688351

Structural Information

Molecular Formula
C21H16N2OS
SMILES
CC1=CC=C(C=C1)N2C(=O)/C(=C/C3=CC4=CC=CC=C4C=C3)/NC2=S
InChI
InChI=1S/C21H16N2OS/c1-14-6-10-18(11-7-14)23-20(24)19(22-21(23)25)13-15-8-9-16-4-2-3-5-17(16)12-15/h2-13H,1H3,(H,22,25)/b19-13-
InChIKey
RFNFHQCIIJDDNH-UYRXBGFRSA-N
Compound name
(5Z)-3-(4-methylphenyl)-5-(naphthalen-2-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 182.6
[M+Na]+ 367.08755 192.6
[M-H]- 343.09105 189.9
[M+NH4]+ 362.13215 196.2
[M+K]+ 383.06149 183.3
[M+H-H2O]+ 327.09559 174.2
[M+HCOO]- 389.09653 195.6
[M+CH3COO]- 403.11218 192.7
[M+Na-2H]- 365.07300 180.9
[M]+ 344.09778 181.3
[M]- 344.09888 181.3
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.