CID 6276409

611185-73-0

Structural Information

Molecular Formula
C18H20N2O2S2
SMILES
CCCCCN1C(=O)/C(=C/2\C3=CC=CC=C3N(C2=O)CC)/SC1=S
InChI
InChI=1S/C18H20N2O2S2/c1-3-5-8-11-20-17(22)15(24-18(20)23)14-12-9-6-7-10-13(12)19(4-2)16(14)21/h6-7,9-10H,3-5,8,11H2,1-2H3/b15-14-
InChIKey
PWQRCEYVUUPJKU-PFONDFGASA-N
Compound name
(5Z)-5-(1-ethyl-2-oxoindol-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

360.09662 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.10390 185.7
[M+Na]+ 383.08584 196.0
[M-H]- 359.08934 191.0
[M+NH4]+ 378.13044 202.3
[M+K]+ 399.05978 188.9
[M+H-H2O]+ 343.09388 180.6
[M+HCOO]- 405.09482 194.3
[M+CH3COO]- 419.11047 213.0
[M+Na-2H]- 381.07129 178.4
[M]+ 360.09607 189.8
[M]- 360.09717 189.8
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.