CID 5897014

618076-44-1

Structural Information

Molecular Formula
C18H19NO2S2
SMILES
CCCCCN1C(=O)/C(=C\C2=CC3=CC=CC=C3OC2)/SC1=S
InChI
InChI=1S/C18H19NO2S2/c1-2-3-6-9-19-17(20)16(23-18(19)22)11-13-10-14-7-4-5-8-15(14)21-12-13/h4-5,7-8,10-11H,2-3,6,9,12H2,1H3/b16-11+
InChIKey
YFDKBZAOKAAIAZ-LFIBNONCSA-N
Compound name
(5E)-5-(2H-chromen-3-ylmethylidene)-3-pentyl-2-sulfanylidene-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.08572 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.09300 178.7
[M+Na]+ 368.07494 187.3
[M-H]- 344.07844 185.0
[M+NH4]+ 363.11954 193.6
[M+K]+ 384.04888 181.1
[M+H-H2O]+ 328.08298 172.7
[M+HCOO]- 390.08392 187.0
[M+CH3COO]- 404.09957 188.9
[M+Na-2H]- 366.06039 176.1
[M]+ 345.08517 181.4
[M]- 345.08627 181.4
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.