CID 5903511

618075-36-8

Structural Information

Molecular Formula
C19H21BrN2O2S2
SMILES
CCCCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CCCC)/C1=O
InChI
InChI=1S/C19H21BrN2O2S2/c1-3-5-9-21-14-8-7-12(20)11-13(14)15(17(21)23)16-18(24)22(10-6-4-2)19(25)26-16/h7-8,11H,3-6,9-10H2,1-2H3/b16-15-
InChIKey
CDUBKZUBUMMBDV-NXVVXOECSA-N
Compound name
(5Z)-5-(5-bromo-1-butyl-2-oxoindol-3-ylidene)-3-butyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.02277 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.03005 188.0
[M+Na]+ 475.01199 189.0
[M+NH4]+ 470.05659 191.3
[M+K]+ 490.98593 187.8
[M-H]- 451.01549 188.0
[M+Na-2H]- 472.99744 186.0
[M]+ 452.02222 187.6
[M]- 452.02332 187.6
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.