CID 6166504

611185-75-2

Structural Information

Molecular Formula
C19H22N2O2S2
SMILES
CCCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CCC)/SC1=S
InChI
InChI=1S/C19H22N2O2S2/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/h6-7,9-10H,3-5,8,11-12H2,1-2H3/b16-15-
InChIKey
MNITUFHFAAELQT-NXVVXOECSA-N
Compound name
(5Z)-5-(2-oxo-1-propylindol-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

374.11227 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.11955 189.7
[M+Na]+ 397.10149 199.6
[M-H]- 373.10499 194.8
[M+NH4]+ 392.14609 205.8
[M+K]+ 413.07543 192.3
[M+H-H2O]+ 357.10953 184.5
[M+HCOO]- 419.11047 198.0
[M+CH3COO]- 433.12612 215.9
[M+Na-2H]- 395.08694 182.0
[M]+ 374.11172 194.2
[M]- 374.11282 194.2
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.