CID 2139071

617695-02-0

Structural Information

Molecular Formula
C15H13BrN2O2S2
SMILES
CCCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)C)/C1=O
InChI
InChI=1S/C15H13BrN2O2S2/c1-3-6-18-10-5-4-8(16)7-9(10)11(13(18)19)12-14(20)17(2)15(21)22-12/h4-5,7H,3,6H2,1-2H3/b12-11-
InChIKey
WNTODLMVLCJVJF-QXMHVHEDSA-N
Compound name
(5Z)-5-(5-bromo-2-oxo-1-propylindol-3-ylidene)-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.96017 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.96745 171.7
[M+Na]+ 418.94939 173.4
[M+NH4]+ 413.99399 175.6
[M+K]+ 434.92333 173.1
[M-H]- 394.95289 171.9
[M+Na-2H]- 416.93484 170.6
[M]+ 395.95962 171.4
[M]- 395.96072 171.4
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.