CID 5895558

617697-88-8

Structural Information

Molecular Formula
C17H17BrN2O2S2
SMILES
CCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CC(C)C)/C1=O
InChI
InChI=1S/C17H17BrN2O2S2/c1-4-19-12-6-5-10(18)7-11(12)13(15(19)21)14-16(22)20(8-9(2)3)17(23)24-14/h5-7,9H,4,8H2,1-3H3/b14-13-
InChIKey
RKGYEWVICRHMSD-YPKPFQOOSA-N
Compound name
(5Z)-5-(5-bromo-1-ethyl-2-oxoindol-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

423.9915 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 424.998776 178.0
[M+Na]+ 446.980718 192.6
[M-H]- 422.984224 186.6
[M+NH4]+ 442.025323 196.4
[M+K]+ 462.954658 178.6
[M+H-H2O]+ 406.988760 180.2
[M+HCOO]- 468.989701 184.9
[M+CH3COO]- 483.005351 219.8
[M+Na-2H]- 444.966166 173.2
[M]+ 423.99095142 200.0
[M]- 423.99204858 200.0
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.