CID 3072365

142307-19-5

Structural Information

Molecular Formula
C24H22N3OS3
SMILES
CCN1/C(=C\2/CCC[N+]3=C2SC4=CC=CC=C43)/S/C(=C/5\N(C6=CC=CC=C6S5)C)/C1=O
InChI
InChI=1S/C24H22N3OS3/c1-3-26-21(28)20(24-25(2)16-10-4-6-12-18(16)30-24)31-22(26)15-9-8-14-27-17-11-5-7-13-19(17)29-23(15)27/h4-7,10-13H,3,8-9,14H2,1-2H3/q+1/b24-20+
InChIKey
AAEWQWFFDZXEPP-HIXSDJFHSA-N
Compound name
(2E,5E)-2-(2,3-dihydro-1H-pyrido[2,1-b][1,3]benzothiazol-10-ium-4-ylidene)-3-ethyl-5-(3-methyl-1,3-benzothiazol-2-ylidene)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

464.0925 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 465.09978 194.9
[M+Na]+ 487.08172 211.0
[M+NH4]+ 482.12632 205.4
[M+K]+ 503.05566 202.2
[M-H]- 463.08522 202.4
[M+Na-2H]- 485.06717 200.7
[M]+ 464.09195 201.2
[M]- 464.09305 201.2
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

No patent data available for this compound.