CID 135429379

Dgypxjjjsosoqa-uhfffaoysa-n

Structural Information

Molecular Formula
C17H11N3O2
SMILES
C1=CC=C2C(=C1)C=CN=C2C3=NOC(=N3)C4=CC=CC=C4O
InChI
InChI=1S/C17H11N3O2/c21-14-8-4-3-7-13(14)17-19-16(20-22-17)15-12-6-2-1-5-11(12)9-10-18-15/h1-10,21H
InChIKey
DGYPXJJJSOSOQA-UHFFFAOYSA-N
Compound name
2-(3-isoquinolin-1-yl-1,2,4-oxadiazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

289.0851 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.09238 164.5
[M+Na]+ 312.07432 175.8
[M-H]- 288.07782 171.8
[M+NH4]+ 307.11892 176.4
[M+K]+ 328.04826 170.3
[M+H-H2O]+ 272.08236 154.3
[M+HCOO]- 334.08330 184.9
[M+CH3COO]- 348.09895 176.6
[M+Na-2H]- 310.05977 172.0
[M]+ 289.08455 167.0
[M]- 289.08565 167.0
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

No patent data available for this compound.