CID 44785318

438458-75-4

Structural Information

Molecular Formula
C18H18N2O2S2
SMILES
CCCCN1C2=CC=CC=C2/C(=C\3/C(=O)N(C(=S)S3)CC=C)/C1=O
InChI
InChI=1S/C18H18N2O2S2/c1-3-5-11-19-13-9-7-6-8-12(13)14(16(19)21)15-17(22)20(10-4-2)18(23)24-15/h4,6-9H,2-3,5,10-11H2,1H3/b15-14+
InChIKey
GYYBGWKJEZITJO-CCEZHUSRSA-N
Compound name
(5E)-5-(1-butyl-2-oxoindol-3-ylidene)-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

358.08096 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.08824 185.4
[M+Na]+ 381.07018 196.0
[M-H]- 357.07368 190.7
[M+NH4]+ 376.11478 202.0
[M+K]+ 397.04412 188.3
[M+H-H2O]+ 341.07822 180.3
[M+HCOO]- 403.07916 194.2
[M+CH3COO]- 417.09481 212.3
[M+Na-2H]- 379.05563 178.0
[M]+ 358.08041 188.8
[M]- 358.08151 188.8
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.