CID 9570616

53068-43-2

Structural Information

Molecular Formula
C22H26N4O3S
SMILES
CN(C)C1=CC=C(C=C1)/C=N\N=C\2/N(C(=O)CS2)CCC3=CC(=C(C=C3)OC)OC
InChI
InChI=1S/C22H26N4O3S/c1-25(2)18-8-5-17(6-9-18)14-23-24-22-26(21(27)15-30-22)12-11-16-7-10-19(28-3)20(13-16)29-4/h5-10,13-14H,11-12,15H2,1-4H3/b23-14-,24-22+
InChIKey
RWGPOLWAIOTBEA-VPMZCMPRSA-N
Compound name
(2E)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(Z)-[4-(dimethylamino)phenyl]methylidenehydrazinylidene]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.17258 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.17986 203.6
[M+Na]+ 449.16180 214.0
[M+NH4]+ 444.20640 209.9
[M+K]+ 465.13574 206.4
[M-H]- 425.16530 210.2
[M+Na-2H]- 447.14725 210.6
[M]+ 426.17203 207.2
[M]- 426.17313 207.2
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.