CID 135443790

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

Structural Information

Molecular Formula
C15H13BrN4O2S
SMILES
CC1C(=O)N(/C(=N\N=C/2\C3=C(C=CC(=C3)Br)NC2=O)/S1)CC=C
InChI
InChI=1S/C15H13BrN4O2S/c1-3-6-20-14(22)8(2)23-15(20)19-18-12-10-7-9(16)4-5-11(10)17-13(12)21/h3-5,7-8H,1,6H2,2H3,(H,17,18,21)/b19-15+
InChIKey
SMLKWNOABPTARF-XDJHFCHBSA-N
Compound name
(2E)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-5-methyl-3-prop-2-enyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

391.99426 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.00154 175.9
[M+Na]+ 414.98348 189.1
[M-H]- 390.98698 185.6
[M+NH4]+ 410.02808 194.6
[M+K]+ 430.95742 175.3
[M+H-H2O]+ 374.99152 175.1
[M+HCOO]- 436.99246 192.3
[M+CH3COO]- 451.00811 218.9
[M+Na-2H]- 412.96893 175.5
[M]+ 391.99371 195.7
[M]- 391.99481 195.7
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.