CID 6447361

Phenothiazine, 10-(5-benzylidene-4-oxo-2-(2-thiazolinyl)thioacetyl)-

Structural Information

Molecular Formula
C24H16N2O2S3
SMILES
C1=CC=C(C=C1)/C=C/2\C(=O)N=C(S2)SCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53
InChI
InChI=1S/C24H16N2O2S3/c27-22(15-29-24-25-23(28)21(31-24)14-16-8-2-1-3-9-16)26-17-10-4-6-12-19(17)30-20-13-7-5-11-18(20)26/h1-14H,15H2/b21-14+
InChIKey
HOGDSFKJDMYNNT-KGENOOAVSA-N
Compound name
(5E)-5-benzylidene-2-(2-oxo-2-phenothiazin-10-ylethyl)sulfanyl-1,3-thiazol-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.03738 Da
Monoisotopic Mass

6.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.04466 202.6
[M+Na]+ 483.02660 212.2
[M-H]- 459.03010 209.7
[M+NH4]+ 478.07120 213.2
[M+K]+ 499.00054 202.5
[M+H-H2O]+ 443.03464 196.2
[M+HCOO]- 505.03558 205.4
[M+CH3COO]- 519.05123 210.2
[M+Na-2H]- 481.01205 202.9
[M]+ 460.03683 204.4
[M]- 460.03793 204.4
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

No patent data available for this compound.