CID 5891364

618081-37-1

Structural Information

Molecular Formula
C22H18BrFN2O2S2
SMILES
CCCCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CC4=CC=C(C=C4)F)/C1=O
InChI
InChI=1S/C22H18BrFN2O2S2/c1-2-3-10-25-17-9-6-14(23)11-16(17)18(20(25)27)19-21(28)26(22(29)30-19)12-13-4-7-15(24)8-5-13/h4-9,11H,2-3,10,12H2,1H3/b19-18-
InChIKey
UJXBHROETJLSQO-HNENSFHCSA-N
Compound name
(5Z)-5-(5-bromo-1-butyl-2-oxoindol-3-ylidene)-3-[(4-fluorophenyl)methyl]-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

503.9977 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 505.00498 199.9
[M+Na]+ 526.98692 202.3
[M+NH4]+ 522.03152 203.1
[M+K]+ 542.96086 200.3
[M-H]- 502.99042 201.0
[M+Na-2H]- 524.97237 199.8
[M]+ 503.99715 200.1
[M]- 503.99825 200.1
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.