CID 6247068

617696-16-9

Structural Information

Molecular Formula
C22H19BrN2O2S2
SMILES
CCCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)C(C)C4=CC=CC=C4)/C1=O
InChI
InChI=1S/C22H19BrN2O2S2/c1-3-11-24-17-10-9-15(23)12-16(17)18(20(24)26)19-21(27)25(22(28)29-19)13(2)14-7-5-4-6-8-14/h4-10,12-13H,3,11H2,1-2H3/b19-18-
InChIKey
JRWPOWGZLHXVDX-HNENSFHCSA-N
Compound name
(5Z)-5-(5-bromo-2-oxo-1-propylindol-3-ylidene)-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

486.00714 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 487.01442 190.0
[M+Na]+ 508.99636 192.7
[M+NH4]+ 504.04096 193.9
[M+K]+ 524.97030 191.6
[M-H]- 484.99986 192.3
[M+Na-2H]- 506.98181 191.1
[M]+ 486.00659 190.6
[M]- 486.00769 190.6
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.