CID 135542213

3-(3-ethyl-5-methyl-4-thiozolidone-2-hydrazono)-5-bromo-2-indolinone

Structural Information

Molecular Formula
C14H13BrN4O2S
SMILES
CCN\1C(=O)C(S/C1=N/N=C\2/C3=C(C=CC(=C3)Br)NC2=O)C
InChI
InChI=1S/C14H13BrN4O2S/c1-3-19-13(21)7(2)22-14(19)18-17-11-9-6-8(15)4-5-10(9)16-12(11)20/h4-7H,3H2,1-2H3,(H,16,17,20)/b18-14+
InChIKey
QDARNWAKRRODOE-NBVRZTHBSA-N
Compound name
(2E)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-ethyl-5-methyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.99426 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.00154 172.5
[M+Na]+ 402.98348 185.9
[M-H]- 378.98698 182.3
[M+NH4]+ 398.02808 191.7
[M+K]+ 418.95742 172.8
[M+H-H2O]+ 362.99152 171.8
[M+HCOO]- 424.99246 189.1
[M+CH3COO]- 439.00811 216.9
[M+Na-2H]- 400.96893 172.6
[M]+ 379.99371 192.6
[M]- 379.99481 192.6
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.