CID 135499523

3-(3-n-butyl-5-methyl-4-thiozolidone-2-hydrazono)-2-indolinone

Structural Information

Molecular Formula
C16H18N4O2S
SMILES
CCCCN\1C(=O)C(S/C1=N\N=C/2\C3=CC=CC=C3NC2=O)C
InChI
InChI=1S/C16H18N4O2S/c1-3-4-9-20-15(22)10(2)23-16(20)19-18-13-11-7-5-6-8-12(11)17-14(13)21/h5-8,10H,3-4,9H2,1-2H3,(H,17,18,21)/b19-16-
InChIKey
PQJLNLYSCDKVNQ-MNDPQUGUSA-N
Compound name
(2Z)-3-butyl-5-methyl-2-[(Z)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.11505 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.12233 177.8
[M+Na]+ 353.10427 186.4
[M-H]- 329.10777 184.7
[M+NH4]+ 348.14887 195.0
[M+K]+ 369.07821 181.3
[M+H-H2O]+ 313.11231 170.6
[M+HCOO]- 375.11325 195.7
[M+CH3COO]- 389.12890 213.6
[M+Na-2H]- 351.08972 175.5
[M]+ 330.11450 179.9
[M]- 330.11560 179.9
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.