CID 135475681

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

Structural Information

Molecular Formula
C19H15BrN4O2S
SMILES
CC1C(=O)N(/C(=N\N=C/2\C3=C(C=CC(=C3)Br)NC2=O)/S1)C4=CC=C(C=C4)C
InChI
InChI=1S/C19H15BrN4O2S/c1-10-3-6-13(7-4-10)24-18(26)11(2)27-19(24)23-22-16-14-9-12(20)5-8-15(14)21-17(16)25/h3-9,11H,1-2H3,(H,21,22,25)/b23-19+
InChIKey
MQEVQRLVJINUPR-FCDQGJHFSA-N
Compound name
(2E)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-methyl-3-(4-methylphenyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

442.00992 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 443.01720 189.7
[M+Na]+ 464.99914 202.7
[M-H]- 441.00264 202.6
[M+NH4]+ 460.04374 206.3
[M+K]+ 480.97308 189.0
[M+H-H2O]+ 425.00718 188.5
[M+HCOO]- 487.00812 206.1
[M+CH3COO]- 501.02377 202.5
[M+Na-2H]- 462.98459 188.7
[M]+ 442.00937 209.6
[M]- 442.01047 209.6
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.