CID 5927571

617697-16-2

Structural Information

Molecular Formula
C18H19BrN2O3S2
SMILES
CCCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CCCOC)/C1=O
InChI
InChI=1S/C18H19BrN2O3S2/c1-3-7-20-13-6-5-11(19)10-12(13)14(16(20)22)15-17(23)21(18(25)26-15)8-4-9-24-2/h5-6,10H,3-4,7-9H2,1-2H3/b15-14-
InChIKey
RGEUYIDDMXQIEI-PFONDFGASA-N
Compound name
(5Z)-5-(5-bromo-2-oxo-1-propylindol-3-ylidene)-3-(3-methoxypropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

454.00204 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.00932 187.4
[M+Na]+ 476.99126 188.1
[M+NH4]+ 472.03586 190.3
[M+K]+ 492.96520 187.5
[M-H]- 452.99476 187.1
[M+Na-2H]- 474.97671 185.2
[M]+ 454.00149 186.8
[M]- 454.00259 186.8
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.