CID 135499529

3-[3-(p-chlorophenyl)-5-methyl-4-thiazolidone-2-hydrazono]-2-indolinone

Structural Information

Molecular Formula
C18H13ClN4O2S
SMILES
CC1C(=O)N(/C(=N/N=C\2/C3=CC=CC=C3NC2=O)/S1)C4=CC=C(C=C4)Cl
InChI
InChI=1S/C18H13ClN4O2S/c1-10-17(25)23(12-8-6-11(19)7-9-12)18(26-10)22-21-15-13-4-2-3-5-14(13)20-16(15)24/h2-10H,1H3,(H,20,21,24)/b22-18-
InChIKey
WXAKHQKHRCMVKJ-PYCFMQQDSA-N
Compound name
(2Z)-3-(4-chlorophenyl)-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

384.04477 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.05205 191.7
[M+Na]+ 407.03399 202.3
[M-H]- 383.03749 202.2
[M+NH4]+ 402.07859 207.2
[M+K]+ 423.00793 194.9
[M+H-H2O]+ 367.04203 184.2
[M+HCOO]- 429.04297 205.7
[M+CH3COO]- 443.05862 202.5
[M+Na-2H]- 405.01944 189.0
[M]+ 384.04422 194.5
[M]- 384.04532 194.5
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.