CID 6249027

618073-52-2

Structural Information

Molecular Formula
C20H23BrN2O2S2
SMILES
CCCCCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CC(C)C)/C1=O
InChI
InChI=1S/C20H23BrN2O2S2/c1-4-5-6-9-22-15-8-7-13(21)10-14(15)16(18(22)24)17-19(25)23(11-12(2)3)20(26)27-17/h7-8,10,12H,4-6,9,11H2,1-3H3/b17-16-
InChIKey
QGAVVXOSZLPHJZ-MSUUIHNZSA-N
Compound name
(5Z)-5-(5-bromo-2-oxo-1-pentylindol-3-ylidene)-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

466.03842 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 467.04570 190.1
[M+Na]+ 489.02764 190.6
[M+NH4]+ 484.07224 193.2
[M+K]+ 505.00158 190.0
[M-H]- 465.03114 190.0
[M+Na-2H]- 487.01309 187.9
[M]+ 466.03787 189.6
[M]- 466.03897 189.6
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.