CID 404448

Nsc720654

Structural Information

Molecular Formula
C18H10N2O2
SMILES
C1=CC=C(C=C1)C2=CC(=O)N3C4=CC=CC=C4OC3=C2C#N
InChI
InChI=1S/C18H10N2O2/c19-11-14-13(12-6-2-1-3-7-12)10-17(21)20-15-8-4-5-9-16(15)22-18(14)20/h1-10H
InChIKey
UXUHQSNGLXWZJH-UHFFFAOYSA-N
Compound name
1-oxo-3-phenylpyrido[2,1-b][1,3]benzoxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.07422 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.08150 169.7
[M+Na]+ 309.06344 184.6
[M-H]- 285.06694 176.1
[M+NH4]+ 304.10804 184.6
[M+K]+ 325.03738 175.7
[M+H-H2O]+ 269.07148 154.8
[M+HCOO]- 331.07242 188.5
[M+CH3COO]- 345.08807 181.1
[M+Na-2H]- 307.04889 175.5
[M]+ 286.07367 168.4
[M]- 286.07477 168.4
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

No patent data available for this compound.