CID 1377592

5-bromo-7-methyl-3-(4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2,3-dihydro-1h-indol-2-one

Structural Information

Molecular Formula
C12H7BrN2O2S2
SMILES
CC1=CC(=CC2=C(C(=O)N=C12)C3=C(NC(=S)S3)O)Br
InChI
InChI=1S/C12H7BrN2O2S2/c1-4-2-5(13)3-6-7(10(16)14-8(4)6)9-11(17)15-12(18)19-9/h2-3,17H,1H3,(H,15,18)
InChIKey
LOVNGMHIRITVRG-UHFFFAOYSA-N
Compound name
5-bromo-3-(4-hydroxy-2-sulfanylidene-3H-1,3-thiazol-5-yl)-7-methylindol-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

4
Patents

353.91324 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.92052 154.1
[M+Na]+ 376.90246 172.9
[M-H]- 352.90596 162.3
[M+NH4]+ 371.94706 174.3
[M+K]+ 392.87640 158.2
[M+H-H2O]+ 336.91050 157.0
[M+HCOO]- 398.91144 165.9
[M+CH3COO]- 412.92709 169.7
[M+Na-2H]- 374.88791 155.4
[M]+ 353.91269 177.9
[M]- 353.91379 177.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe