CID 5910727

618075-41-5

Structural Information

Molecular Formula
C23H20ClN3O3S2
SMILES
CCC(C)N1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC(=O)NC4=CC=C(C=C4)Cl)/SC1=S
InChI
InChI=1S/C23H20ClN3O3S2/c1-3-13(2)27-22(30)20(32-23(27)31)19-16-6-4-5-7-17(16)26(21(19)29)12-18(28)25-15-10-8-14(24)9-11-15/h4-11,13H,3,12H2,1-2H3,(H,25,28)/b20-19-
InChIKey
UCGLMXKTLMGAMO-VXPUYCOJSA-N
Compound name
2-[(3Z)-3-(3-butan-2-yl-4-oxo-2-sulfanylidene-1,3-thiazolidin-5-ylidene)-2-oxoindol-1-yl]-N-(4-chlorophenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

485.06348 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 486.07076 216.0
[M+Na]+ 508.05270 224.7
[M-H]- 484.05620 224.5
[M+NH4]+ 503.09730 227.4
[M+K]+ 524.02664 216.5
[M+H-H2O]+ 468.06074 210.7
[M+HCOO]- 530.06168 219.1
[M+CH3COO]- 544.07733 223.7
[M+Na-2H]- 506.03815 207.7
[M]+ 485.06293 220.7
[M]- 485.06403 220.7
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.