CID 2139122

617697-78-6

Structural Information

Molecular Formula
C16H15BrN2O2S2
SMILES
CCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)N(C(=S)S3)C(C)C)/C1=O
InChI
InChI=1S/C16H15BrN2O2S2/c1-4-18-11-6-5-9(17)7-10(11)12(14(18)20)13-15(21)19(8(2)3)16(22)23-13/h5-8H,4H2,1-3H3/b13-12-
InChIKey
XTPMNHZXGJNZFO-SEYXRHQNSA-N
Compound name
(5Z)-5-(5-bromo-1-ethyl-2-oxoindol-3-ylidene)-3-propan-2-yl-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

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.98311 173.9
[M+Na]+ 432.96505 188.9
[M-H]- 408.96855 182.7
[M+NH4]+ 428.00965 192.8
[M+K]+ 448.93899 175.1
[M+H-H2O]+ 392.97309 176.3
[M+HCOO]- 454.97403 181.1
[M+CH3COO]- 468.98968 217.2
[M+Na-2H]- 430.95050 169.6
[M]+ 409.97528 195.6
[M]- 409.97638 195.6
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.