CID 5912070

617697-83-3

Structural Information

Molecular Formula
C16H15BrN2O2S2
SMILES
CCCN1C(=O)/C(=C/2\C3=C(C=CC(=C3)Br)N(C2=O)CC)/SC1=S
InChI
InChI=1S/C16H15BrN2O2S2/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/h5-6,8H,3-4,7H2,1-2H3/b13-12-
InChIKey
BTCYUMYSGWPOEC-SEYXRHQNSA-N
Compound name
(5Z)-5-(5-bromo-1-ethyl-2-oxoindol-3-ylidene)-3-propyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.97583 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.983106 173.9
[M+Na]+ 432.965048 189.4
[M-H]- 408.968554 182.6
[M+NH4]+ 428.009653 193.0
[M+K]+ 448.938988 175.1
[M+H-H2O]+ 392.973090 176.1
[M+HCOO]- 454.974031 182.2
[M+CH3COO]- 468.989681 216.4
[M+Na-2H]- 430.950496 170.3
[M]+ 409.97528142 196.1
[M]- 409.97637858 196.1
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.