CID 6014684

611185-70-7

Structural Information

Molecular Formula
C19H20N2O2S2
SMILES
CCCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC=C)/SC1=S
InChI
InChI=1S/C19H20N2O2S2/c1-3-5-8-12-21-18(23)16(25-19(21)24)15-13-9-6-7-10-14(13)20(11-4-2)17(15)22/h4,6-7,9-10H,2-3,5,8,11-12H2,1H3/b16-15-
InChIKey
ZBBJGHUTCAJOJQ-NXVVXOECSA-N
Compound name
(5Z)-5-(2-oxo-1-prop-2-enylindol-3-ylidene)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.09662 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.10390 189.4
[M+Na]+ 395.08584 199.5
[M-H]- 371.08934 194.5
[M+NH4]+ 390.13044 205.4
[M+K]+ 411.05978 191.6
[M+H-H2O]+ 355.09388 184.2
[M+HCOO]- 417.09482 197.9
[M+CH3COO]- 431.11047 215.2
[M+Na-2H]- 393.07129 181.6
[M]+ 372.09607 193.2
[M]- 372.09717 193.2
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.