CID 24839187

2-(3,5-dimethoxy-4-ethoxyphenyl)-6-(naphthalenyl)imidazo(2,1-b)-1,3,4-thiadiazole

Structural Information

Molecular Formula
C24H21N3O3S
SMILES
CCOC1=C(C=C(C=C1OC)C2=NN3C=C(N=C3S2)C4=CC=CC5=CC=CC=C54)OC
InChI
InChI=1S/C24H21N3O3S/c1-4-30-22-20(28-2)12-16(13-21(22)29-3)23-26-27-14-19(25-24(27)31-23)18-11-7-9-15-8-5-6-10-17(15)18/h5-14H,4H2,1-3H3
InChIKey
RMVPBSANDHDYDL-UHFFFAOYSA-N
Compound name
2-(4-ethoxy-3,5-dimethoxyphenyl)-6-naphthalen-1-ylimidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

431.13037 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.13765 203.0
[M+Na]+ 454.11959 221.1
[M+NH4]+ 449.16419 211.2
[M+K]+ 470.09353 213.2
[M-H]- 430.12309 209.3
[M+Na-2H]- 452.10504 211.9
[M]+ 431.12982 208.2
[M]- 431.13092 208.2
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.