CID 15956993

1-[5-(2-methoxy-naphthalen-1-yl)-[1,2,4]oxadiazol-3-yl]-isoquinoline

Structural Information

Molecular Formula
C22H15N3O2
SMILES
COC1=C(C2=CC=CC=C2C=C1)C3=NC(=NO3)C4=NC=CC5=CC=CC=C54
InChI
InChI=1S/C22H15N3O2/c1-26-18-11-10-14-6-2-4-8-16(14)19(18)22-24-21(25-27-22)20-17-9-5-3-7-15(17)12-13-23-20/h2-13H,1H3
InChIKey
NWLMZGUSAPDWTH-UHFFFAOYSA-N
Compound name
3-isoquinolin-1-yl-5-(2-methoxynaphthalen-1-yl)-1,2,4-oxadiazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

353.11642 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 354.12370 184.3
[M+Na]+ 376.10564 195.8
[M-H]- 352.10914 193.5
[M+NH4]+ 371.15024 195.1
[M+K]+ 392.07958 189.5
[M+H-H2O]+ 336.11368 172.5
[M+HCOO]- 398.11462 203.7
[M+CH3COO]- 412.13027 195.4
[M+Na-2H]- 374.09109 191.0
[M]+ 353.11587 189.0
[M]- 353.11697 189.0
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