CID 3045315

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

Structural Information

Molecular Formula
C20H17N3O4S
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NN3C(=C(N=C3S2)C4=CC=CC=C4)C=O
InChI
InChI=1S/C20H17N3O4S/c1-25-15-9-13(10-16(26-2)18(15)27-3)19-22-23-14(11-24)17(21-20(23)28-19)12-7-5-4-6-8-12/h4-11H,1-3H3
InChIKey
LGGUKSCMYMLUSU-UHFFFAOYSA-N
Compound name
6-phenyl-2-(3,4,5-trimethoxyphenyl)imidazo[2,1-b][1,3,4]thiadiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.09396 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.101236 192.5
[M+Na]+ 418.083178 205.4
[M-H]- 394.086684 202.1
[M+NH4]+ 413.127783 205.6
[M+K]+ 434.057118 200.4
[M+H-H2O]+ 378.091220 184.2
[M+HCOO]- 440.092161 211.3
[M+CH3COO]- 454.107811 204.4
[M+Na-2H]- 416.068626 191.2
[M]+ 395.09341142 204.2
[M]- 395.09450858 204.2
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.