CID 476175

3,5-bis-(4-ethoxy-phenylimino)-2,4-diethyl-[1,2,4]thiadiazolidine

Structural Information

Molecular Formula
C22H28N4O2S
SMILES
CCN1C(=NC2=CC=C(C=C2)OCC)N(SC1=NC3=CC=C(C=C3)OCC)CC
InChI
InChI=1S/C22H28N4O2S/c1-5-25-21(23-17-9-13-19(14-10-17)27-7-3)26(6-2)29-22(25)24-18-11-15-20(16-12-18)28-8-4/h9-16H,5-8H2,1-4H3
InChIKey
YVUIRGDUTLOILY-UHFFFAOYSA-N
Compound name
3-N,5-N-bis(4-ethoxyphenyl)-2,4-diethyl-1,2,4-thiadiazolidine-3,5-diimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.1933 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.20058 201.0
[M+Na]+ 435.18252 209.8
[M-H]- 411.18602 211.5
[M+NH4]+ 430.22712 212.6
[M+K]+ 451.15646 203.8
[M+H-H2O]+ 395.19056 190.0
[M+HCOO]- 457.19150 222.9
[M+CH3COO]- 471.20715 232.3
[M+Na-2H]- 433.16797 200.3
[M]+ 412.19275 209.7
[M]- 412.19385 209.7
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.