CID 214648

7-(benzyloxy)-4-oxo-4h-chromene-2-carboxamide

Structural Information

Molecular Formula
C17H13NO4
SMILES
C1=CC=C(C=C1)COC2=CC3=C(C=C2)C(=O)C=C(O3)C(=O)N
InChI
InChI=1S/C17H13NO4/c18-17(20)16-9-14(19)13-7-6-12(8-15(13)22-16)21-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,18,20)
InChIKey
MQAQREONYKDKJC-UHFFFAOYSA-N
Compound name
4-oxo-7-phenylmethoxychromene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

295.08447 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.091746 165.3
[M+Na]+ 318.073688 173.8
[M-H]- 294.077194 173.6
[M+NH4]+ 313.118293 179.4
[M+K]+ 334.047628 171.1
[M+H-H2O]+ 278.081730 156.7
[M+HCOO]- 340.082671 187.9
[M+CH3COO]- 354.098321 204.6
[M+Na-2H]- 316.059136 171.7
[M]+ 295.08392142 167.9
[M]- 295.08501858 167.9
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