CID 2139125

617698-19-8

Structural Information

Molecular Formula
C13H9BrN2O2S2
SMILES
CCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)NC(=S)S3)/C1=O
InChI
InChI=1S/C13H9BrN2O2S2/c1-2-16-8-4-3-6(14)5-7(8)9(12(16)18)10-11(17)15-13(19)20-10/h3-5H,2H2,1H3,(H,15,17,19)/b10-9-
InChIKey
SUGDYLSBSCUVMJ-KTKRTIGZSA-N
Compound name
(5Z)-5-(5-bromo-1-ethyl-2-oxoindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

367.9289 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.93618 162.3
[M+Na]+ 390.91812 178.0
[M-H]- 366.92162 170.0
[M+NH4]+ 385.96272 182.1
[M+K]+ 406.89206 163.5
[M+H-H2O]+ 350.92616 165.1
[M+HCOO]- 412.92710 170.2
[M+CH3COO]- 426.94275 176.1
[M+Na-2H]- 388.90357 160.2
[M]+ 367.92835 181.7
[M]- 367.92945 181.7
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.