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]+ 461.044656 202.6
[M+Na]+ 483.026598 212.2
[M-H]- 459.030104 209.7
[M+NH4]+ 478.071203 213.2
[M+K]+ 499.000538 202.5
[M+H-H2O]+ 443.034640 196.2
[M+HCOO]- 505.035581 205.4
[M+CH3COO]- 519.051231 210.2
[M+Na-2H]- 481.012046 202.9
[M]+ 460.03683142 204.4
[M]- 460.03792858 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.