CID 5901797

618075-24-4

Structural Information

Molecular Formula
C23H21BrN2O2S2
SMILES
CCCCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CC4=CC=C(C=C4)C)/C1=O
InChI
InChI=1S/C23H21BrN2O2S2/c1-3-4-11-25-18-10-9-16(24)12-17(18)19(21(25)27)20-22(28)26(23(29)30-20)13-15-7-5-14(2)6-8-15/h5-10,12H,3-4,11,13H2,1-2H3/b20-19-
InChIKey
VJSMVROXEJISCY-VXPUYCOJSA-N
Compound name
(5Z)-5-(5-bromo-1-butyl-2-oxoindol-3-ylidene)-3-[(4-methylphenyl)methyl]-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 196.8
[M+Na]+ 523.01199 200.0
[M+NH4]+ 518.05659 200.6
[M+K]+ 538.98593 198.0
[M-H]- 499.01549 199.3
[M+Na-2H]- 520.99744 197.5
[M]+ 500.02222 197.6
[M]- 500.02332 197.6
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.