CID 6292798

618077-73-9

Structural Information

Molecular Formula
C20H17BrN2O3S2
SMILES
CCCCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CC4=CC=CO4)/C1=O
InChI
InChI=1S/C20H17BrN2O3S2/c1-2-3-8-22-15-7-6-12(21)10-14(15)16(18(22)24)17-19(25)23(20(27)28-17)11-13-5-4-9-26-13/h4-7,9-10H,2-3,8,11H2,1H3/b17-16-
InChIKey
DYFBDLXYFUYHLJ-MSUUIHNZSA-N
Compound name
(5Z)-5-(5-bromo-1-butyl-2-oxoindol-3-ylidene)-3-(furan-2-ylmethyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

475.9864 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 476.99368 194.5
[M+Na]+ 498.97562 209.8
[M-H]- 474.97912 207.4
[M+NH4]+ 494.02022 211.5
[M+K]+ 514.94956 197.7
[M+H-H2O]+ 458.98366 198.1
[M+HCOO]- 520.98460 204.0
[M+CH3COO]- 535.00025 207.6
[M+Na-2H]- 496.96107 189.1
[M]+ 475.98585 218.5
[M]- 475.98695 218.5
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

patents stripe