CID 474497

(2e)-3-(4-isopentyloxyphenyl)-2-(4-isopentyloxyphenyl)imino-5-methyl-thiazolidin-4-one

Structural Information

Molecular Formula
C26H34N2O3S
SMILES
CC1C(=O)N(C(=NC2=CC=C(C=C2)OCCC(C)C)S1)C3=CC=C(C=C3)OCCC(C)C
InChI
InChI=1S/C26H34N2O3S/c1-18(2)14-16-30-23-10-6-21(7-11-23)27-26-28(25(29)20(5)32-26)22-8-12-24(13-9-22)31-17-15-19(3)4/h6-13,18-20H,14-17H2,1-5H3
InChIKey
JUUKHOLGCWUZMX-UHFFFAOYSA-N
Compound name
5-methyl-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

0
Patents

454.229 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.23628 214.1
[M+Na]+ 477.21822 218.4
[M-H]- 453.22172 223.1
[M+NH4]+ 472.26282 224.3
[M+K]+ 493.19216 213.5
[M+H-H2O]+ 437.22626 204.3
[M+HCOO]- 499.22720 228.8
[M+CH3COO]- 513.24285 238.9
[M+Na-2H]- 475.20367 207.0
[M]+ 454.22845 220.2
[M]- 454.22955 220.2
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.