CID 513117

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

Structural Information

Molecular Formula
C22H17NO5
SMILES
CCOC(=O)C1=C2N(C3=CC=CC=C3O2)C(=O)C(=C1)CC(=O)C4=CC=CC=C4
InChI
InChI=1S/C22H17NO5/c1-2-27-22(26)16-12-15(13-18(24)14-8-4-3-5-9-14)20(25)23-17-10-6-7-11-19(17)28-21(16)23/h3-12H,2,13H2,1H3
InChIKey
BEWSEWYWHBOWPD-UHFFFAOYSA-N
Compound name
ethyl 1-oxo-2-phenacylpyrido[2,1-b][1,3]benzoxazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.1107 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.11798 187.0
[M+Na]+ 398.09992 196.8
[M-H]- 374.10342 195.8
[M+NH4]+ 393.14452 199.9
[M+K]+ 414.07386 193.4
[M+H-H2O]+ 358.10796 178.1
[M+HCOO]- 420.10890 207.3
[M+CH3COO]- 434.12455 198.4
[M+Na-2H]- 396.08537 190.4
[M]+ 375.11015 194.6
[M]- 375.11125 194.6
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

No patent data available for this compound.