CID 102319

2718-78-7

Structural Information

Molecular Formula
C26H21N3OS2
SMILES
CCN1C2=CC=CC=C2SC1=CC=C3C(=O)N=C(S3)N(C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C26H21N3OS2/c1-2-28-21-15-9-10-16-22(21)31-24(28)18-17-23-25(30)27-26(32-23)29(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-18H,2H2,1H3
InChIKey
BOMGUORSURCISS-UHFFFAOYSA-N
Compound name
5-[2-(3-ethyl-1,3-benzothiazol-2-ylidene)ethylidene]-2-(N-phenylanilino)-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

455.1126 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 456.11988 203.0
[M+Na]+ 478.10182 217.0
[M+NH4]+ 473.14642 211.8
[M+K]+ 494.07576 207.0
[M-H]- 454.10532 211.4
[M+Na-2H]- 476.08727 212.3
[M]+ 455.11205 208.4
[M]- 455.11315 208.4
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

patents stripe