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 237.7
[M+Na]+ 631.10806 242.8
[M-H]- 607.11156 244.2
[M+NH4]+ 626.15266 236.5
[M+K]+ 647.08200 233.5
[M+H-H2O]+ 591.11610 226.0
[M+HCOO]- 653.11704 238.4
[M+CH3COO]- 667.13269 240.5
[M+Na-2H]- 629.09351 237.5
[M]+ 608.11829 237.8
[M]- 608.11939 237.8
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.