CID 9554246

Brn 4942172

Structural Information

Molecular Formula
C22H23N3O3S
SMILES
COC1=C(C=C(C=C1)CCN\2C(=O)CS/C2=N/N=C/C=C/C3=CC=CC=C3)OC
InChI
InChI=1S/C22H23N3O3S/c1-27-19-11-10-18(15-20(19)28-2)12-14-25-21(26)16-29-22(25)24-23-13-6-9-17-7-4-3-5-8-17/h3-11,13,15H,12,14,16H2,1-2H3/b9-6+,23-13+,24-22+
InChIKey
GDGLAFLKXKSVSN-DWMIMLDOSA-N
Compound name
(2E)-3-[2-(3,4-dimethoxyphenyl)ethyl]-2-[(E)-[(E)-3-phenylprop-2-enylidene]hydrazinylidene]-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

409.14603 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.15331 199.3
[M+Na]+ 432.13525 205.6
[M-H]- 408.13875 210.0
[M+NH4]+ 427.17985 211.6
[M+K]+ 448.10919 199.9
[M+H-H2O]+ 392.14329 189.0
[M+HCOO]- 454.14423 220.3
[M+CH3COO]- 468.15988 229.1
[M+Na-2H]- 430.12070 197.9
[M]+ 409.14548 204.3
[M]- 409.14658 204.3
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

No patent data available for this compound.