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 208.5
[M+Na]+ 516.98762 219.0
[M-H]- 492.99112 216.1
[M+NH4]+ 512.03222 218.9
[M+K]+ 532.96156 208.9
[M+H-H2O]+ 476.99566 202.9
[M+HCOO]- 538.99660 206.9
[M+CH3COO]- 553.01225 216.0
[M+Na-2H]- 514.97307 208.0
[M]+ 493.99785 212.7
[M]- 493.99895 212.7
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.