CID 3045341

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

Structural Information

Molecular Formula
C19H16N4O5S
SMILES
COC1=CC(=CC(=C1OC)OC)C2=NN3C=C(N=C3S2)C4=CC=CC=C4[N+](=O)[O-]
InChI
InChI=1S/C19H16N4O5S/c1-26-15-8-11(9-16(27-2)17(15)28-3)18-21-22-10-13(20-19(22)29-18)12-6-4-5-7-14(12)23(24)25/h4-10H,1-3H3
InChIKey
BBYGBIGMJIGGLW-UHFFFAOYSA-N
Compound name
6-(2-nitrophenyl)-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

412.08414 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.09142 192.3
[M+Na]+ 435.07336 207.5
[M+NH4]+ 430.11796 198.7
[M+K]+ 451.04730 205.3
[M-H]- 411.07686 197.7
[M+Na-2H]- 433.05881 199.4
[M]+ 412.08359 196.3
[M]- 412.08469 196.3
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.