CID 2139230

618075-18-6

Structural Information

Molecular Formula
C17H17BrN2O2S2
SMILES
CCCCCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)C)/C1=O
InChI
InChI=1S/C17H17BrN2O2S2/c1-3-4-5-8-20-12-7-6-10(18)9-11(12)13(15(20)21)14-16(22)19(2)17(23)24-14/h6-7,9H,3-5,8H2,1-2H3/b14-13-
InChIKey
CTSWTHUZMRWWGW-YPKPFQOOSA-N
Compound name
(5Z)-5-(5-bromo-2-oxo-1-pentylindol-3-ylidene)-3-methyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

423.9915 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.99878 178.0
[M+Na]+ 446.98072 193.0
[M-H]- 422.98422 186.5
[M+NH4]+ 442.02532 196.5
[M+K]+ 462.95466 178.5
[M+H-H2O]+ 406.98876 180.0
[M+HCOO]- 468.98970 185.9
[M+CH3COO]- 483.00535 219.0
[M+Na-2H]- 444.96617 174.0
[M]+ 423.99095 200.4
[M]- 423.99205 200.4
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.