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 204.2
[M+Na]+ 454.11959 217.6
[M-H]- 430.12309 214.6
[M+NH4]+ 449.16419 216.8
[M+K]+ 470.09353 211.1
[M+H-H2O]+ 414.12763 195.3
[M+HCOO]- 476.12857 222.3
[M+CH3COO]- 490.14422 215.4
[M+Na-2H]- 452.10504 204.2
[M]+ 431.12982 216.5
[M]- 431.13092 216.5
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.