CID 135542214

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

Structural Information

Molecular Formula
C16H17BrN4O2S
SMILES
CCCCN\1C(=O)C(S/C1=N/N=C\2/C3=C(C=CC(=C3)Br)NC2=O)C
InChI
InChI=1S/C16H17BrN4O2S/c1-3-4-7-21-15(23)9(2)24-16(21)20-19-13-11-8-10(17)5-6-12(11)18-14(13)22/h5-6,8-9H,3-4,7H2,1-2H3,(H,18,19,22)/b20-16+
InChIKey
QIRISBOYOCDRNQ-CAPFRKAQSA-N
Compound name
(2E)-2-[(Z)-(5-bromo-2-oxo-1H-indol-3-ylidene)hydrazinylidene]-3-butyl-5-methyl-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.02557 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.03285 180.9
[M+Na]+ 431.01479 193.4
[M-H]- 407.01829 190.4
[M+NH4]+ 426.05939 199.0
[M+K]+ 446.98873 180.0
[M+H-H2O]+ 391.02283 179.9
[M+HCOO]- 453.02377 196.8
[M+CH3COO]- 467.03942 222.4
[M+Na-2H]- 429.00024 180.1
[M]+ 408.02502 201.6
[M]- 408.02612 201.6
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.