CID 353723

Imidazo(2,1-b)-1,3,4-thiadiazole, 5-methyl-6-phenyl-2-(3,4,5-trimethoxyphenyl)-

Structural Information

Molecular Formula
C20H19N3O3S
SMILES
CC1=C(N=C2N1N=C(S2)C3=CC(=C(C(=C3)OC)OC)OC)C4=CC=CC=C4
InChI
InChI=1S/C20H19N3O3S/c1-12-17(13-8-6-5-7-9-13)21-20-23(12)22-19(27-20)14-10-15(24-2)18(26-4)16(11-14)25-3/h5-11H,1-4H3
InChIKey
UCEKOVFQFDFUDE-UHFFFAOYSA-N
Compound name
5-methyl-6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[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 190.0
[M+Na]+ 404.10394 203.1
[M-H]- 380.10744 199.6
[M+NH4]+ 399.14854 204.0
[M+K]+ 420.07788 197.9
[M+H-H2O]+ 364.11198 181.8
[M+HCOO]- 426.11292 208.5
[M+CH3COO]- 440.12857 202.1
[M+Na-2H]- 402.08939 188.5
[M]+ 381.11417 201.1
[M]- 381.11527 201.1
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.