CID 5863903

611185-67-2

Structural Information

Molecular Formula
C21H26N2O2S2
SMILES
CCCCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CCCC)/SC1=S
InChI
InChI=1S/C21H26N2O2S2/c1-3-5-7-10-14-23-20(25)18(27-21(23)26)17-15-11-8-9-12-16(15)22(19(17)24)13-6-4-2/h8-9,11-12H,3-7,10,13-14H2,1-2H3/b18-17-
InChIKey
PCOFZVNLDSHHQS-ZCXUNETKSA-N
Compound name
(5Z)-5-(1-butyl-2-oxoindol-3-ylidene)-3-hexyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.1436 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.15088 200.5
[M+Na]+ 425.13282 209.8
[M+NH4]+ 420.17742 207.0
[M+K]+ 441.10676 201.4
[M-H]- 401.13632 202.1
[M+Na-2H]- 423.11827 200.3
[M]+ 402.14305 203.0
[M]- 402.14415 203.0
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.