CID 3045314

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

Structural Information

Molecular Formula
C23H19N3O3S
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NN3C=C(N=C3S2)C4=CC=CC5=CC=CC=C54
InChI
InChI=1S/C23H19N3O3S/c1-27-19-11-15(12-20(28-2)21(19)29-3)22-25-26-13-18(24-23(26)30-22)17-10-6-8-14-7-4-5-9-16(14)17/h4-13H,1-3H3
InChIKey
LEKKKFWUPCOYTH-UHFFFAOYSA-N
Compound name
6-naphthalen-1-yl-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

417.11472 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 418.12200 198.6
[M+Na]+ 440.10394 216.9
[M+NH4]+ 435.14854 207.0
[M+K]+ 456.07788 209.3
[M-H]- 416.10744 205.0
[M+Na-2H]- 438.08939 207.8
[M]+ 417.11417 203.9
[M]- 417.11527 203.9
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.