CID 3068787

83796-53-6

Structural Information

Molecular Formula
C20H19N3O3S
SMILES
CCOC1=C(C=C(C=C1OC)C2=NN3C=C(N=C3S2)C4=CC=CC=C4)OC
InChI
InChI=1S/C20H19N3O3S/c1-4-26-18-16(24-2)10-14(11-17(18)25-3)19-22-23-12-15(21-20(23)27-19)13-8-6-5-7-9-13/h5-12H,4H2,1-3H3
InChIKey
ZPRRVCSQUDCNCO-UHFFFAOYSA-N
Compound name
2-(4-ethoxy-3,5-dimethoxyphenyl)-6-phenylimidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

381.11472 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.12200 189.4
[M+Na]+ 404.10394 201.7
[M-H]- 380.10744 198.6
[M+NH4]+ 399.14854 203.1
[M+K]+ 420.07788 196.5
[M+H-H2O]+ 364.11198 180.9
[M+HCOO]- 426.11292 208.0
[M+CH3COO]- 440.12857 201.2
[M+Na-2H]- 402.08939 188.6
[M]+ 381.11417 200.0
[M]- 381.11527 200.0
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.