CID 135467663

Nsc652034

Structural Information

Molecular Formula
C22H19N3O3S3
SMILES
CCO/C(=C\1/C(=N)N(/C(=C\2/C(=O)N(C(=S)S2)C3=CC=C(C=C3)C)/S1)C4=CC=CC=C4)/O
InChI
InChI=1S/C22H19N3O3S3/c1-3-28-21(27)16-18(23)24(14-7-5-4-6-8-14)20(30-16)17-19(26)25(22(29)31-17)15-11-9-13(2)10-12-15/h4-12,23,27H,3H2,1-2H3/b20-17+,21-16-,23-18?
InChIKey
VZRGMJRWDACLBW-HFIQXVMOSA-N
Compound name
(5E)-5-[(5Z)-5-[ethoxy(hydroxy)methylidene]-4-imino-3-phenyl-1,3-thiazolidin-2-ylidene]-3-(4-methylphenyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

469.05887 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 470.06615 209.3
[M+Na]+ 492.04809 219.4
[M-H]- 468.05159 218.5
[M+NH4]+ 487.09269 219.0
[M+K]+ 508.02203 208.8
[M+H-H2O]+ 452.05613 203.9
[M+HCOO]- 514.05707 214.6
[M+CH3COO]- 528.07272 217.1
[M+Na-2H]- 490.03354 202.6
[M]+ 469.05832 210.2
[M]- 469.05942 210.2
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.