CID 486277

4-(oxazolo[4,5-b]pyridin-2-yl)aniline

Structural Information

Molecular Formula
C12H9N3O
SMILES
C1=CC2=C(N=C1)N=C(O2)C3=CC=C(C=C3)N
InChI
InChI=1S/C12H9N3O/c13-9-5-3-8(4-6-9)12-15-11-10(16-12)2-1-7-14-11/h1-7H,13H2
InChIKey
IQYADSABMIDDAV-UHFFFAOYSA-N
Compound name
4-([1,3]oxazolo[4,5-b]pyridin-2-yl)aniline
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

11
References

7
Patents

211.07455 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.08183 142.6
[M+Na]+ 234.06377 153.8
[M-H]- 210.06727 148.9
[M+NH4]+ 229.10837 159.8
[M+K]+ 250.03771 150.2
[M+H-H2O]+ 194.07181 134.4
[M+HCOO]- 256.07275 166.8
[M+CH3COO]- 270.08840 156.6
[M+Na-2H]- 232.04922 151.7
[M]+ 211.07400 144.3
[M]- 211.07510 144.3
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