CID 12774192

79174-50-8

Structural Information

Molecular Formula
C24H20N4O2S
SMILES
CC1=CC(=CC=C1)NC(=O)/N=C/2\C(=S)N(C(=O)N2C3=CC=CC(=C3)C)C4=CC=CC=C4
InChI
InChI=1S/C24H20N4O2S/c1-16-8-6-10-18(14-16)25-23(29)26-21-22(31)28(19-11-4-3-5-12-19)24(30)27(21)20-13-7-9-17(2)15-20/h3-15H,1-2H3,(H,25,29)/b26-21+
InChIKey
YPPPMHIBSQUBAE-YYADALCUSA-N
Compound name
(3E)-1-(3-methylphenyl)-3-[3-(3-methylphenyl)-2-oxo-1-phenyl-5-sulfanylideneimidazolidin-4-ylidene]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

428.1307 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 429.13798 203.2
[M+Na]+ 451.11992 217.2
[M+NH4]+ 446.16452 209.7
[M+K]+ 467.09386 208.7
[M-H]- 427.12342 211.0
[M+Na-2H]- 449.10537 212.6
[M]+ 428.13015 207.8
[M]- 428.13125 207.8
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.