CID 2139101

617696-15-8

Structural Information

Molecular Formula
C14H11BrN2O2S2
SMILES
CCCN1C2=C(C=C(C=C2)Br)/C(=C/3\C(=O)NC(=S)S3)/C1=O
InChI
InChI=1S/C14H11BrN2O2S2/c1-2-5-17-9-4-3-7(15)6-8(9)10(13(17)19)11-12(18)16-14(20)21-11/h3-4,6H,2,5H2,1H3,(H,16,18,20)/b11-10-
InChIKey
IKFKQALZHYBOLH-KHPPLWFESA-N
Compound name
(5Z)-5-(5-bromo-2-oxo-1-propylindol-3-ylidene)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.94452 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.95180 166.3
[M+Na]+ 404.93374 181.6
[M-H]- 380.93724 173.9
[M+NH4]+ 399.97834 185.6
[M+K]+ 420.90768 166.9
[M+H-H2O]+ 364.94178 169.0
[M+HCOO]- 426.94272 174.0
[M+CH3COO]- 440.95837 179.8
[M+Na-2H]- 402.91919 163.9
[M]+ 381.94397 186.0
[M]- 381.94507 186.0
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.