CID 9588526

109901-83-9

Structural Information

Molecular Formula
C28H28N6OS
SMILES
CN(C)C1=CC=C(C=C1)NCCC2=N/C(=C/C3=CC=CC=C3)/C(=O)N2C(=S)N/N=C/C4=CC=CC=C4
InChI
InChI=1S/C28H28N6OS/c1-33(2)24-15-13-23(14-16-24)29-18-17-26-31-25(19-21-9-5-3-6-10-21)27(35)34(26)28(36)32-30-20-22-11-7-4-8-12-22/h3-16,19-20,29H,17-18H2,1-2H3,(H,32,36)/b25-19+,30-20+
InChIKey
SUPFKEMJBUHBGG-CGUDFOFQSA-N
Compound name
(4E)-4-benzylidene-N-[(E)-benzylideneamino]-2-[2-[4-(dimethylamino)anilino]ethyl]-5-oxoimidazole-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.20453 Da
Monoisotopic Mass

5.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.21181 220.2
[M+Na]+ 519.19375 231.5
[M+NH4]+ 514.23835 225.7
[M+K]+ 535.16769 222.6
[M-H]- 495.19725 229.0
[M+Na-2H]- 517.17920 230.3
[M]+ 496.20398 224.4
[M]- 496.20508 224.4
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.