CID 3045336

91918-70-6

Structural Information

Molecular Formula
C20H18ClN3O3S
SMILES
CCOC1=C(C=C(C=C1OC)C2=NN3C=C(N=C3S2)C4=CC=C(C=C4)Cl)OC
InChI
InChI=1S/C20H18ClN3O3S/c1-4-27-18-16(25-2)9-13(10-17(18)26-3)19-23-24-11-15(22-20(24)28-19)12-5-7-14(21)8-6-12/h5-11H,4H2,1-3H3
InChIKey
LWMGKBGZSLFJDD-UHFFFAOYSA-N
Compound name
6-(4-chlorophenyl)-2-(4-ethoxy-3,5-dimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

415.07574 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 416.08302 196.8
[M+Na]+ 438.06496 210.4
[M-H]- 414.06846 206.1
[M+NH4]+ 433.10956 210.2
[M+K]+ 454.03890 204.1
[M+H-H2O]+ 398.07300 188.6
[M+HCOO]- 460.07394 210.5
[M+CH3COO]- 474.08959 208.4
[M+Na-2H]- 436.05041 194.7
[M]+ 415.07519 209.8
[M]- 415.07629 209.8
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.