CID 6247964

617698-20-1

Structural Information

Molecular Formula
C17H17BrN2O3S2
SMILES
CCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CCCOC)/C1=O
InChI
InChI=1S/C17H17BrN2O3S2/c1-3-19-12-6-5-10(18)9-11(12)13(15(19)21)14-16(22)20(17(24)25-14)7-4-8-23-2/h5-6,9H,3-4,7-8H2,1-2H3/b14-13-
InChIKey
RELNVLGZFYSTPC-YPKPFQOOSA-N
Compound name
(5Z)-5-(5-bromo-1-ethyl-2-oxoindol-3-ylidene)-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

439.9864 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.99368 183.3
[M+Na]+ 462.97562 184.2
[M+NH4]+ 458.02022 186.4
[M+K]+ 478.94956 183.9
[M-H]- 438.97912 183.0
[M+Na-2H]- 460.96107 181.4
[M]+ 439.98585 182.7
[M]- 439.98695 182.7
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.