CID 11232865

1-[5-(2,5-dimethoxy-phenyl)-[1,2,4]oxadiazol-3-yl]-isoquinoline

Structural Information

Molecular Formula
C19H15N3O3
SMILES
COC1=CC(=C(C=C1)OC)C2=NC(=NO2)C3=NC=CC4=CC=CC=C43
InChI
InChI=1S/C19H15N3O3/c1-23-13-7-8-16(24-2)15(11-13)19-21-18(22-25-19)17-14-6-4-3-5-12(14)9-10-20-17/h3-11H,1-2H3
InChIKey
WAMRTTWGBYTLNO-UHFFFAOYSA-N
Compound name
5-(2,5-dimethoxyphenyl)-3-isoquinolin-1-yl-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

333.11133 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.11861 177.5
[M+Na]+ 356.10055 188.9
[M-H]- 332.10405 186.1
[M+NH4]+ 351.14515 188.5
[M+K]+ 372.07449 184.6
[M+H-H2O]+ 316.10859 166.5
[M+HCOO]- 378.10953 198.7
[M+CH3COO]- 392.12518 189.4
[M+Na-2H]- 354.08600 183.5
[M]+ 333.11078 184.1
[M]- 333.11188 184.1
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

patents stripe