CID 474499

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

Structural Information

Molecular Formula
C21H20N2O3S
SMILES
C=CCOC1=CC=C(C=C1)N=C2N(C(=O)CS2)C3=CC=C(C=C3)OCC=C
InChI
InChI=1S/C21H20N2O3S/c1-3-13-25-18-9-5-16(6-10-18)22-21-23(20(24)15-27-21)17-7-11-19(12-8-17)26-14-4-2/h3-12H,1-2,13-15H2
InChIKey
JGBACMMAZCVFFJ-UHFFFAOYSA-N
Compound name
3-(4-prop-2-enoxyphenyl)-2-(4-prop-2-enoxyphenyl)imino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

380.11948 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 381.12676 191.3
[M+Na]+ 403.10870 198.5
[M-H]- 379.11220 200.9
[M+NH4]+ 398.15330 204.3
[M+K]+ 419.08264 192.2
[M+H-H2O]+ 363.11674 181.9
[M+HCOO]- 425.11768 210.3
[M+CH3COO]- 439.13333 220.0
[M+Na-2H]- 401.09415 189.2
[M]+ 380.11893 195.1
[M]- 380.12003 195.1
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.