CID 5901742

618075-22-2

Structural Information

Molecular Formula
C18H17BrN2O2S2
SMILES
CCCCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)CC=C)/C1=O
InChI
InChI=1S/C18H17BrN2O2S2/c1-3-5-9-20-13-7-6-11(19)10-12(13)14(16(20)22)15-17(23)21(8-4-2)18(24)25-15/h4,6-7,10H,2-3,5,8-9H2,1H3/b15-14-
InChIKey
FWKARJOAXMDBLQ-PFONDFGASA-N
Compound name
(5Z)-5-(5-bromo-1-butyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.9915 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.99878 181.4
[M+Na]+ 458.98072 196.2
[M-H]- 434.98422 189.7
[M+NH4]+ 454.02532 199.3
[M+K]+ 474.95466 181.0
[M+H-H2O]+ 418.98876 183.3
[M+HCOO]- 480.98970 189.2
[M+CH3COO]- 495.00535 221.1
[M+Na-2H]- 456.96617 176.9
[M]+ 435.99095 203.5
[M]- 435.99205 203.5
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.