CID 5901742

618075-22-2

Structural Information

Molecular Formula
C18H17BrN2O2S2
SMILES
CCCCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CC=C)/C1=O
InChI
InChI=1S/C18H17BrN2O2S2/c1-3-5-9-20-13-7-6-11(19)10-12(13)14(16(20)22)15-17(23)21(8-4-2)18(24)25-15/h4,6-7,10H,2-3,5,8-9H2,1H3/b15-14-
InChIKey
FWKARJOAXMDBLQ-PFONDFGASA-N
Compound name
(5Z)-5-(5-bromo-1-butyl-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

435.9915 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.99878 183.4
[M+Na]+ 458.98072 184.6
[M+NH4]+ 454.02532 186.6
[M+K]+ 474.95466 183.6
[M-H]- 434.98422 183.3
[M+Na-2H]- 456.96617 181.6
[M]+ 435.99095 182.9
[M]- 435.99205 182.9
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.