CID 474495

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

Structural Information

Molecular Formula
C21H24N2O3S
SMILES
CCCOC1=CC=C(C=C1)N=C2N(C(=O)CS2)C3=CC=C(C=C3)OCCC
InChI
InChI=1S/C21H24N2O3S/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/h5-12H,3-4,13-15H2,1-2H3
InChIKey
VWLMOIWMMAVAFN-UHFFFAOYSA-N
Compound name
3-(4-propoxyphenyl)-2-(4-propoxyphenyl)imino-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

384.15076 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.15804 192.5
[M+Na]+ 407.13998 199.1
[M-H]- 383.14348 202.0
[M+NH4]+ 402.18458 205.5
[M+K]+ 423.11392 194.0
[M+H-H2O]+ 367.14802 183.0
[M+HCOO]- 429.14896 211.1
[M+CH3COO]- 443.16461 221.4
[M+Na-2H]- 405.12543 190.4
[M]+ 384.15021 197.6
[M]- 384.15131 197.6
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