CID 135499522

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

Structural Information

Molecular Formula
C15H14N4O2S
SMILES
CC1C(=O)N(/C(=N/N=C\2/C3=CC=CC=C3NC2=O)/S1)CC=C
InChI
InChI=1S/C15H14N4O2S/c1-3-8-19-14(21)9(2)22-15(19)18-17-12-10-6-4-5-7-11(10)16-13(12)20/h3-7,9H,1,8H2,2H3,(H,16,17,20)/b18-15-
InChIKey
FKERHKPWXAAMOC-SDXDJHTJSA-N
Compound name
(2Z)-5-methyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-prop-2-enyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

314.08374 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 315.09102 173.1
[M+Na]+ 337.07296 182.5
[M-H]- 313.07646 180.2
[M+NH4]+ 332.11756 190.8
[M+K]+ 353.04690 176.9
[M+H-H2O]+ 297.08100 166.1
[M+HCOO]- 359.08194 191.5
[M+CH3COO]- 373.09759 209.9
[M+Na-2H]- 335.05841 171.2
[M]+ 314.08319 174.1
[M]- 314.08429 174.1
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.