CID 9588525

109901-82-8

Structural Information

Molecular Formula
C28H27N5OS
SMILES
CC1=CC=CC=C1/C=N/NC(=S)N2C(=N/C(=C/C3=CC=CC=C3)/C2=O)CCNC4=CC=CC=C4C
InChI
InChI=1S/C28H27N5OS/c1-20-10-6-8-14-23(20)19-30-32-28(35)33-26(16-17-29-24-15-9-7-11-21(24)2)31-25(27(33)34)18-22-12-4-3-5-13-22/h3-15,18-19,29H,16-17H2,1-2H3,(H,32,35)/b25-18+,30-19+
InChIKey
ABHWLVATSRVRBC-GKVFSHECSA-N
Compound name
(4E)-4-benzylidene-2-[2-(2-methylanilino)ethyl]-N-[(E)-(2-methylphenyl)methylideneamino]-5-oxoimidazole-1-carbothioamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

481.19363 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 482.20091 219.1
[M+Na]+ 504.18285 231.9
[M+NH4]+ 499.22745 224.9
[M+K]+ 520.15679 222.1
[M-H]- 480.18635 227.5
[M+Na-2H]- 502.16830 228.7
[M]+ 481.19308 223.6
[M]- 481.19418 223.6
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.