CID 2139113

617697-05-9

Structural Information

Molecular Formula
C17H15BrN2O2S2
SMILES
CCCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CC=C)/C1=O
InChI
InChI=1S/C17H15BrN2O2S2/c1-3-7-19-12-6-5-10(18)9-11(12)13(15(19)21)14-16(22)20(8-4-2)17(23)24-14/h4-6,9H,2-3,7-8H2,1H3/b14-13-
InChIKey
ZCNKERIXCHUHKI-YPKPFQOOSA-N
Compound name
(5Z)-5-(5-bromo-2-oxo-1-propylindol-3-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

421.97583 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.98311 179.3
[M+Na]+ 444.96505 180.7
[M+NH4]+ 440.00965 182.7
[M+K]+ 460.93899 179.9
[M-H]- 420.96855 179.3
[M+Na-2H]- 442.95050 177.7
[M]+ 421.97528 178.9
[M]- 421.97638 178.9
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.