CID 5903508

618075-34-6

Structural Information

Molecular Formula
C16H15BrN2O2S2
SMILES
CCCCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)C)/C1=O
InChI
InChI=1S/C16H15BrN2O2S2/c1-3-4-7-19-11-6-5-9(17)8-10(11)12(14(19)20)13-15(21)18(2)16(22)23-13/h5-6,8H,3-4,7H2,1-2H3/b13-12-
InChIKey
GTLRBJQNUWJNMF-SEYXRHQNSA-N
Compound name
(5Z)-5-(5-bromo-1-butyl-2-oxoindol-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

409.97583 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.98311 173.9
[M+Na]+ 432.96505 189.4
[M-H]- 408.96855 182.6
[M+NH4]+ 428.00965 193.0
[M+K]+ 448.93899 175.1
[M+H-H2O]+ 392.97309 176.1
[M+HCOO]- 454.97403 182.2
[M+CH3COO]- 468.98968 216.4
[M+Na-2H]- 430.95050 170.3
[M]+ 409.97528 196.1
[M]- 409.97638 196.1
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.