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]+ 418.121996 199.9
[M+Na]+ 440.103938 213.8
[M-H]- 416.107444 210.5
[M+NH4]+ 435.148543 213.1
[M+K]+ 456.077878 207.5
[M+H-H2O]+ 400.111980 191.2
[M+HCOO]- 462.112921 218.3
[M+CH3COO]- 476.128571 211.6
[M+Na-2H]- 438.089386 200.4
[M]+ 417.11417142 211.9
[M]- 417.11526858 211.9
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.