CID 9588524

Brn 6015168

Structural Information

Molecular Formula
C26H23N5OS
SMILES
C1=CC=C(C=C1)/C=C/2\C(=O)N(C(=N2)CCNC3=CC=CC=C3)C(=S)N/N=C/C4=CC=CC=C4
InChI
InChI=1S/C26H23N5OS/c32-25-23(18-20-10-4-1-5-11-20)29-24(16-17-27-22-14-8-3-9-15-22)31(25)26(33)30-28-19-21-12-6-2-7-13-21/h1-15,18-19,27H,16-17H2,(H,30,33)/b23-18+,28-19+
InChIKey
AAXSJKSIOJNHMM-BTLNULKBSA-N
Compound name
(4E)-2-(2-anilinoethyl)-4-benzylidene-N-[(E)-benzylideneamino]-5-oxoimidazole-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

453.16232 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 454.16960 208.9
[M+Na]+ 476.15154 221.5
[M+NH4]+ 471.19614 215.1
[M+K]+ 492.12548 211.8
[M-H]- 452.15504 217.2
[M+Na-2H]- 474.13699 219.6
[M]+ 453.16177 213.3
[M]- 453.16287 213.3
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.