CID 513118

1-oxo-2-phenacyl-pyrido[2,1-b][1,3]benzoxazole-4-carbonitrile

Structural Information

Molecular Formula
C20H12N2O3
SMILES
C1=CC=C(C=C1)C(=O)CC2=CC(=C3N(C2=O)C4=CC=CC=C4O3)C#N
InChI
InChI=1S/C20H12N2O3/c21-12-15-10-14(11-17(23)13-6-2-1-3-7-13)19(24)22-16-8-4-5-9-18(16)25-20(15)22/h1-10H,11H2
InChIKey
UQQWGLMZLROSHJ-UHFFFAOYSA-N
Compound name
1-oxo-2-phenacylpyrido[2,1-b][1,3]benzoxazole-4-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

328.08478 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 329.09206 181.8
[M+Na]+ 351.07400 195.5
[M-H]- 327.07750 188.0
[M+NH4]+ 346.11860 194.8
[M+K]+ 367.04794 186.8
[M+H-H2O]+ 311.08204 166.5
[M+HCOO]- 373.08298 199.3
[M+CH3COO]- 387.09863 192.0
[M+Na-2H]- 349.05945 185.5
[M]+ 328.08423 181.0
[M]- 328.08533 181.0
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

No patent data available for this compound.