CID 9555905

Nsc650812

Structural Information

Molecular Formula
C26H24N4O3S
SMILES
COC1=C(C=C(C=C1)/C=N/NC(=O)CSC2=NC(=C(N2)C3=CC=CC=C3)C4=CC=CC=C4)OC
InChI
InChI=1S/C26H24N4O3S/c1-32-21-14-13-18(15-22(21)33-2)16-27-30-23(31)17-34-26-28-24(19-9-5-3-6-10-19)25(29-26)20-11-7-4-8-12-20/h3-16H,17H2,1-2H3,(H,28,29)(H,30,31)/b27-16+
InChIKey
QRIJMMZDMSUYIQ-JVWAILMASA-N
Compound name
N-[(E)-(3,4-dimethoxyphenyl)methylideneamino]-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

472.15692 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 473.16420 212.8
[M+Na]+ 495.14614 218.6
[M-H]- 471.14964 223.1
[M+NH4]+ 490.19074 219.1
[M+K]+ 511.12008 211.3
[M+H-H2O]+ 455.15418 201.3
[M+HCOO]- 517.15512 230.9
[M+CH3COO]- 531.17077 220.6
[M+Na-2H]- 493.13159 212.5
[M]+ 472.15637 216.9
[M]- 472.15747 216.9
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.