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 210.0
[M+Na]+ 478.10182 218.9
[M-H]- 454.10532 222.4
[M+NH4]+ 473.14642 222.0
[M+K]+ 494.07576 210.4
[M+H-H2O]+ 438.10986 201.9
[M+HCOO]- 500.11080 221.9
[M+CH3COO]- 514.12645 218.9
[M+Na-2H]- 476.08727 205.7
[M]+ 455.11205 212.2
[M]- 455.11315 212.2
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