CID 40322

52334-40-4

Structural Information

Molecular Formula
C13H7N3O
SMILES
C1=CC=C(C(=C1)C#N)C2=NC3=C(O2)C=CC=N3
InChI
InChI=1S/C13H7N3O/c14-8-9-4-1-2-5-10(9)13-16-12-11(17-13)6-3-7-15-12/h1-7H
InChIKey
KKCBDNQVZSPIJD-UHFFFAOYSA-N
Compound name
2-([1,3]oxazolo[4,5-b]pyridin-2-yl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

221.05891 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.06619 147.7
[M+Na]+ 244.04813 161.0
[M-H]- 220.05163 151.7
[M+NH4]+ 239.09273 162.6
[M+K]+ 260.02207 155.0
[M+H-H2O]+ 204.05617 132.2
[M+HCOO]- 266.05711 166.8
[M+CH3COO]- 280.07276 159.6
[M+Na-2H]- 242.03358 155.3
[M]+ 221.05836 145.1
[M]- 221.05946 145.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe