CID 6448576

Brn 5369986

Structural Information

Molecular Formula
C32H24N4O5S2
SMILES
COC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=S)N(C2=O)NCC(=O)N3C4=CC=CC=C4SC5=CC=CC=C53)C6=CC=CC=C6)O
InChI
InChI=1S/C32H24N4O5S2/c1-41-26-18-20(15-16-25(26)37)17-22-30(39)34(21-9-3-2-4-10-21)32(42)36(31(22)40)33-19-29(38)35-23-11-5-7-13-27(23)43-28-14-8-6-12-24(28)35/h2-18,33,37H,19H2,1H3/b22-17-
InChIKey
FNCZSKPTOOJGLE-XLNRJJMWSA-N
Compound name
(5Z)-5-[(4-hydroxy-3-methoxyphenyl)methylidene]-1-[(2-oxo-2-phenothiazin-10-ylethyl)amino]-3-phenyl-2-sulfanylidene-1,3-diazinane-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

608.11884 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 609.12612 234.8
[M+Na]+ 631.10806 249.6
[M+NH4]+ 626.15266 239.7
[M+K]+ 647.08200 237.8
[M-H]- 607.11156 241.6
[M+Na-2H]- 629.09351 242.2
[M]+ 608.11829 239.6
[M]- 608.11939 239.6
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.