CID 2139214

618081-34-8

Structural Information

Molecular Formula
C20H23BrN2O3S2
SMILES
CCCCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CCCOCC)/C1=O
InChI
InChI=1S/C20H23BrN2O3S2/c1-3-5-9-22-15-8-7-13(21)12-14(15)16(18(22)24)17-19(25)23(20(27)28-17)10-6-11-26-4-2/h7-8,12H,3-6,9-11H2,1-2H3/b17-16-
InChIKey
VRBPAIBKBQPXLX-MSUUIHNZSA-N
Compound name
(5Z)-5-(5-bromo-1-butyl-2-oxoindol-3-ylidene)-3-(3-ethoxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.03336 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.04064 195.5
[M+Na]+ 505.02258 195.8
[M+NH4]+ 500.06718 198.1
[M+K]+ 520.99652 194.8
[M-H]- 481.02608 195.1
[M+Na-2H]- 503.00803 192.9
[M]+ 482.03281 194.8
[M]- 482.03391 194.8
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.