CID 135429337

2-(3-pyridin-2-yl-[1,2,4]oxadiazol-5-yl)-phenol

Structural Information

Molecular Formula
C13H9N3O2
SMILES
C1=CC=C(C(=C1)C2=NC(=NO2)C3=CC=CC=N3)O
InChI
InChI=1S/C13H9N3O2/c17-11-7-2-1-5-9(11)13-15-12(16-18-13)10-6-3-4-8-14-10/h1-8,17H
InChIKey
ZQPZJLGERBHELK-UHFFFAOYSA-N
Compound name
2-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

239.06947 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.07675 150.4
[M+Na]+ 262.05869 160.3
[M-H]- 238.06219 156.4
[M+NH4]+ 257.10329 163.3
[M+K]+ 278.03263 156.6
[M+H-H2O]+ 222.06673 140.8
[M+HCOO]- 284.06767 171.2
[M+CH3COO]- 298.08332 162.9
[M+Na-2H]- 260.04414 157.2
[M]+ 239.06892 151.2
[M]- 239.07002 151.2
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