CID 5892103

617698-23-4

Structural Information

Molecular Formula
C15H13BrN2O2S2
SMILES
CCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CC)/C1=O
InChI
InChI=1S/C15H13BrN2O2S2/c1-3-17-10-6-5-8(16)7-9(10)11(13(17)19)12-14(20)18(4-2)15(21)22-12/h5-7H,3-4H2,1-2H3/b12-11-
InChIKey
UPWIIQHKNRDZRJ-QXMHVHEDSA-N
Compound name
(5Z)-5-(5-bromo-1-ethyl-2-oxoindol-3-ylidene)-3-ethyl-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

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.96745 169.8
[M+Na]+ 418.94939 185.7
[M-H]- 394.95289 178.7
[M+NH4]+ 413.99399 189.4
[M+K]+ 434.92333 171.6
[M+H-H2O]+ 378.95743 172.2
[M+HCOO]- 440.95837 178.4
[M+CH3COO]- 454.97402 183.7
[M+Na-2H]- 416.93484 166.7
[M]+ 395.95962 191.7
[M]- 395.96072 191.7
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.