CID 44785327

438458-77-6

Structural Information

Molecular Formula
C19H22N2O2S2
SMILES
CCCCN1C2=CC=CC=C2/C(=C\3/C(=O)N(C(=S)S3)CC(C)C)/C1=O
InChI
InChI=1S/C19H22N2O2S2/c1-4-5-10-20-14-9-7-6-8-13(14)15(17(20)22)16-18(23)21(11-12(2)3)19(24)25-16/h6-9,12H,4-5,10-11H2,1-3H3/b16-15+
InChIKey
ZRRMHGYBDYODNQ-FOCLMDBBSA-N
Compound name
(5E)-5-(1-butyl-2-oxoindol-3-ylidene)-3-(2-methylpropyl)-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

374.11227 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.11955 192.0
[M+Na]+ 397.10149 201.3
[M+NH4]+ 392.14609 198.7
[M+K]+ 413.07543 194.2
[M-H]- 373.10499 193.4
[M+Na-2H]- 395.08694 192.0
[M]+ 374.11172 194.4
[M]- 374.11282 194.4
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.