CID 5938787

617698-09-6

Structural Information

Molecular Formula
C18H19BrN2O2S2
SMILES
CCCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CC(C)C)/C1=O
InChI
InChI=1S/C18H19BrN2O2S2/c1-4-7-20-13-6-5-11(19)8-12(13)14(16(20)22)15-17(23)21(9-10(2)3)18(24)25-15/h5-6,8,10H,4,7,9H2,1-3H3/b15-14-
InChIKey
ZCQDXMVFLDSNRT-PFONDFGASA-N
Compound name
(5Z)-5-(5-bromo-2-oxo-1-propylindol-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

438.00714 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 439.01442 182.0
[M+Na]+ 460.99636 182.9
[M+NH4]+ 456.04096 185.4
[M+K]+ 476.97030 182.7
[M-H]- 436.99986 182.0
[M+Na-2H]- 458.98181 180.2
[M]+ 438.00659 181.5
[M]- 438.00769 181.5
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

No patent data available for this compound.