CID 474496

(2e)-3-(4-isopentyloxyphenyl)-2-(4-isopentyloxyphenyl)imino-thiazolidin-4-one

Structural Information

Molecular Formula
C25H32N2O3S
SMILES
CC(C)CCOC1=CC=C(C=C1)N=C2N(C(=O)CS2)C3=CC=C(C=C3)OCCC(C)C
InChI
InChI=1S/C25H32N2O3S/c1-18(2)13-15-29-22-9-5-20(6-10-22)26-25-27(24(28)17-31-25)21-7-11-23(12-8-21)30-16-14-19(3)4/h5-12,18-19H,13-17H2,1-4H3
InChIKey
DBEVHSOIISDSMX-UHFFFAOYSA-N
Compound name
3-[4-(3-methylbutoxy)phenyl]-2-[4-(3-methylbutoxy)phenyl]imino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

440.21338 Da
Monoisotopic Mass

7.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 441.22066 210.0
[M+Na]+ 463.20260 213.9
[M-H]- 439.20610 218.9
[M+NH4]+ 458.24720 220.5
[M+K]+ 479.17654 209.2
[M+H-H2O]+ 423.21064 200.1
[M+HCOO]- 485.21158 225.1
[M+CH3COO]- 499.22723 234.7
[M+Na-2H]- 461.18805 204.0
[M]+ 440.21283 215.3
[M]- 440.21393 215.3
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

patents stripe