CID 135499312

Nsc650809

Structural Information

Molecular Formula
C24H20N4O2S
SMILES
C1=CC=C(C=C1)C2=C(N=C(N2)SCC(=O)N/N=C/C3=CC=C(C=C3)O)C4=CC=CC=C4
InChI
InChI=1S/C24H20N4O2S/c29-20-13-11-17(12-14-20)15-25-28-21(30)16-31-24-26-22(18-7-3-1-4-8-18)23(27-24)19-9-5-2-6-10-19/h1-15,29H,16H2,(H,26,27)(H,28,30)/b25-15+
InChIKey
FYAFZVOSXPDBJW-MFKUBSTISA-N
Compound name
2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-[(E)-(4-hydroxyphenyl)methylideneamino]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.1307 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.13798 199.7
[M+Na]+ 451.11992 205.6
[M-H]- 427.12342 208.7
[M+NH4]+ 446.16452 207.1
[M+K]+ 467.09386 197.1
[M+H-H2O]+ 411.12796 189.0
[M+HCOO]- 473.12890 217.0
[M+CH3COO]- 487.14455 207.7
[M+Na-2H]- 449.10537 200.7
[M]+ 428.13015 199.8
[M]- 428.13125 199.8
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.