CID 5490061

Oxazorone

Structural Information

Molecular Formula
C14H15NO4
SMILES
C1COCCN1CC2=CC(=O)OC3=C2C=CC(=C3)O
InChI
InChI=1S/C14H15NO4/c16-11-1-2-12-10(7-14(17)19-13(12)8-11)9-15-3-5-18-6-4-15/h1-2,7-8,16H,3-6,9H2
InChIKey
LLQWUZKGZZNBKG-UHFFFAOYSA-N
Compound name
7-hydroxy-4-(morpholin-4-ylmethyl)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

167
Patents

261.1001 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 262.107376 156.6
[M+Na]+ 284.089318 164.2
[M-H]- 260.092824 162.7
[M+NH4]+ 279.133923 169.4
[M+K]+ 300.063258 162.8
[M+H-H2O]+ 244.097360 148.2
[M+HCOO]- 306.098301 172.7
[M+CH3COO]- 320.113951 168.1
[M+Na-2H]- 282.074766 163.6
[M]+ 261.09955142 156.3
[M]- 261.10064858 156.3
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

patents stripe