CID 135499534

3-[(3-tolyl-5-carboxy-4-methyl-4-thiazoline)-2-hydrazono]-2-indolinone

Structural Information

Molecular Formula
C22H20N4O3S
SMILES
CCOC(=O)C1=C(N(/C(=N/N=C\2/C3=CC=CC=C3NC2=O)/S1)C4=CC=C(C=C4)C)C
InChI
InChI=1S/C22H20N4O3S/c1-4-29-21(28)19-14(3)26(15-11-9-13(2)10-12-15)22(30-19)25-24-18-16-7-5-6-8-17(16)23-20(18)27/h5-12H,4H2,1-3H3,(H,23,24,27)/b25-22-
InChIKey
XUFLKEQRXCHAKH-LVWGJNHUSA-N
Compound name
ethyl (2Z)-4-methyl-3-(4-methylphenyl)-2-[(Z)-(2-oxo-1H-indol-3-ylidene)hydrazinylidene]-1,3-thiazole-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

420.1256 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 421.13288 201.4
[M+Na]+ 443.11482 210.9
[M-H]- 419.11832 212.4
[M+NH4]+ 438.15942 214.7
[M+K]+ 459.08876 204.9
[M+H-H2O]+ 403.12286 193.1
[M+HCOO]- 465.12380 220.7
[M+CH3COO]- 479.13945 211.9
[M+Na-2H]- 441.10027 198.8
[M]+ 420.12505 207.0
[M]- 420.12615 207.0
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.