CID 5903529

618075-44-8

Structural Information

Molecular Formula
C20H21BrN2O3S2
SMILES
CCCCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CC4CCCO4)/C1=O
InChI
InChI=1S/C20H21BrN2O3S2/c1-2-3-8-22-15-7-6-12(21)10-14(15)16(18(22)24)17-19(25)23(20(27)28-17)11-13-5-4-9-26-13/h6-7,10,13H,2-5,8-9,11H2,1H3/b17-16-
InChIKey
DVXNOHDNNSIFOT-MSUUIHNZSA-N
Compound name
(5Z)-5-(5-bromo-1-butyl-2-oxoindol-3-ylidene)-3-(oxolan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.0177 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.02498 196.1
[M+Na]+ 503.00692 196.2
[M+NH4]+ 498.05152 199.4
[M+K]+ 518.98086 197.4
[M-H]- 479.01042 198.2
[M+Na-2H]- 500.99237 193.6
[M]+ 480.01715 196.1
[M]- 480.01825 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.