CID 3072498

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

Structural Information

Molecular Formula
C10H11BrN2O2
SMILES
C1=CC2=C(N=C1)OC(=O)N2CCCCBr
InChI
InChI=1S/C10H11BrN2O2/c11-5-1-2-7-13-8-4-3-6-12-9(8)15-10(13)14/h3-4,6H,1-2,5,7H2
InChIKey
BNSNTXRNBSEEBE-UHFFFAOYSA-N
Compound name
1-(4-bromobutyl)-[1,3]oxazolo[5,4-b]pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

270.0004 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.00768 148.5
[M+Na]+ 292.98962 162.9
[M-H]- 268.99312 154.4
[M+NH4]+ 288.03422 168.1
[M+K]+ 308.96356 152.7
[M+H-H2O]+ 252.99766 147.9
[M+HCOO]- 314.99860 169.5
[M+CH3COO]- 329.01425 192.2
[M+Na-2H]- 290.97507 157.7
[M]+ 269.99985 172.6
[M]- 270.00095 172.6
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