CID 6447362

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

Structural Information

Molecular Formula
C24H15ClN2O2S3
SMILES
C1=CC=C2C(=C1)N(C3=CC=CC=C3S2)C(=O)CSC4=NC(=O)/C(=C\C5=CC=C(C=C5)Cl)/S4
InChI
InChI=1S/C24H15ClN2O2S3/c25-16-11-9-15(10-12-16)13-21-23(29)26-24(32-21)30-14-22(28)27-17-5-1-3-7-19(17)31-20-8-4-2-6-18(20)27/h1-13H,14H2/b21-13+
InChIKey
CTFAISUXAZPVTO-FYJGNVAPSA-N
Compound name
(5E)-5-[(4-chlorophenyl)methylidene]-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

493.9984 Da
Monoisotopic Mass

6.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 495.00568 202.4
[M+Na]+ 516.98762 218.0
[M+NH4]+ 512.03222 211.6
[M+K]+ 532.96156 204.4
[M-H]- 492.99112 208.9
[M+Na-2H]- 514.97307 209.8
[M]+ 493.99785 208.3
[M]- 493.99895 208.3
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.