CID 3072497

Oxazolo(5,4-b)pyridin-2(1h)-one, 1-(3-bromopropyl)-

Structural Information

Molecular Formula
C9H9BrN2O2
SMILES
C1=CC2=C(N=C1)OC(=O)N2CCCBr
InChI
InChI=1S/C9H9BrN2O2/c10-4-2-6-12-7-3-1-5-11-8(7)14-9(12)13/h1,3,5H,2,4,6H2
InChIKey
XAFOJZNEQCACEZ-UHFFFAOYSA-N
Compound name
1-(3-bromopropyl)-[1,3]oxazolo[5,4-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

255.98474 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.99202 148.6
[M+Na]+ 278.97396 153.3
[M+NH4]+ 274.01856 152.8
[M+K]+ 294.94790 154.5
[M-H]- 254.97746 149.1
[M+Na-2H]- 276.95941 151.1
[M]+ 255.98419 148.2
[M]- 255.98529 148.2
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