CID 5892231

617697-85-5

Structural Information

Molecular Formula
C16H13BrN2O2S2
SMILES
CCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CC=C)/C1=O
InChI
InChI=1S/C16H13BrN2O2S2/c1-3-7-19-15(21)13(23-16(19)22)12-10-8-9(17)5-6-11(10)18(4-2)14(12)20/h3,5-6,8H,1,4,7H2,2H3/b13-12-
InChIKey
NQJJBMGAQOTDQE-SEYXRHQNSA-N
Compound name
(5Z)-5-(5-bromo-1-ethyl-2-oxoindol-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

407.96017 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 408.96745 175.3
[M+Na]+ 430.94939 176.9
[M+NH4]+ 425.99399 178.8
[M+K]+ 446.92333 176.2
[M-H]- 406.95289 175.3
[M+Na-2H]- 428.93484 173.9
[M]+ 407.95962 174.9
[M]- 407.96072 174.9
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.