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]+ 396.10124 192.5
[M+Na]+ 418.08318 205.4
[M-H]- 394.08668 202.1
[M+NH4]+ 413.12778 205.6
[M+K]+ 434.05712 200.4
[M+H-H2O]+ 378.09122 184.2
[M+HCOO]- 440.09216 211.3
[M+CH3COO]- 454.10781 204.4
[M+Na-2H]- 416.06863 191.2
[M]+ 395.09341 204.2
[M]- 395.09451 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.