CID 6448579

Brn 5369321

Structural Information

Molecular Formula
C32H24N4O4S2
SMILES
COC1=CC=C(C=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
InChI
InChI=1S/C32H24N4O4S2/c1-40-23-17-15-21(16-18-23)19-24-30(38)34(22-9-3-2-4-10-22)32(41)36(31(24)39)33-20-29(37)35-25-11-5-7-13-27(25)42-28-14-8-6-12-26(28)35/h2-19,33H,20H2,1H3/b24-19-
InChIKey
FHYIVSMSZXSMTK-CLCOLTQESA-N
Compound name
(5Z)-5-[(4-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

592.1239 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 593.13118 235.9
[M+Na]+ 615.11312 241.4
[M-H]- 591.11662 243.4
[M+NH4]+ 610.15772 235.9
[M+K]+ 631.08706 231.6
[M+H-H2O]+ 575.12116 223.6
[M+HCOO]- 637.12210 238.0
[M+CH3COO]- 651.13775 239.3
[M+Na-2H]- 613.09857 235.9
[M]+ 592.12335 235.8
[M]- 592.12445 235.8
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.