CID 6073913

618077-70-6

Structural Information

Molecular Formula
C23H21BrN2O2S2
SMILES
CCCCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)C(C)C4=CC=CC=C4)/C1=O
InChI
InChI=1S/C23H21BrN2O2S2/c1-3-4-12-25-18-11-10-16(24)13-17(18)19(21(25)27)20-22(28)26(23(29)30-20)14(2)15-8-6-5-7-9-15/h5-11,13-14H,3-4,12H2,1-2H3/b20-19-
InChIKey
BFVMBGVKJUJUFB-VXPUYCOJSA-N
Compound name
(5Z)-5-(5-bromo-1-butyl-2-oxoindol-3-ylidene)-3-(1-phenylethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

500.02277 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 501.03005 194.1
[M+Na]+ 523.01199 196.6
[M+NH4]+ 518.05659 197.8
[M+K]+ 538.98593 195.3
[M-H]- 499.01549 196.3
[M+Na-2H]- 520.99744 195.0
[M]+ 500.02222 194.6
[M]- 500.02332 194.6
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.