CID 3045319

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

Structural Information

Molecular Formula
C20H18N4O5S
SMILES
CCOC1=C(C=C(C=C1OC)C2=NN3C=C(N=C3S2)C4=CC=CC=C4[N+](=O)[O-])OC
InChI
InChI=1S/C20H18N4O5S/c1-4-29-18-16(27-2)9-12(10-17(18)28-3)19-22-23-11-14(21-20(23)30-19)13-7-5-6-8-15(13)24(25)26/h5-11H,4H2,1-3H3
InChIKey
NZFSJMQUYHYIHC-UHFFFAOYSA-N
Compound name
2-(4-ethoxy-3,5-dimethoxyphenyl)-6-(2-nitrophenyl)imidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

426.0998 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.10708 196.6
[M+Na]+ 449.08902 211.7
[M+NH4]+ 444.13362 202.8
[M+K]+ 465.06296 209.2
[M-H]- 425.09252 202.0
[M+Na-2H]- 447.07447 203.5
[M]+ 426.09925 200.6
[M]- 426.10035 200.6
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.