CID 24839187

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

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]+ 432.137646 204.2
[M+Na]+ 454.119588 217.6
[M-H]- 430.123094 214.6
[M+NH4]+ 449.164193 216.8
[M+K]+ 470.093528 211.1
[M+H-H2O]+ 414.127630 195.3
[M+HCOO]- 476.128571 222.3
[M+CH3COO]- 490.144221 215.4
[M+Na-2H]- 452.105036 204.2
[M]+ 431.12982142 216.5
[M]- 431.13091858 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.