CID 214648

Brn 1391749

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

0
Patents

295.08447 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.09175 165.3
[M+Na]+ 318.07369 173.8
[M-H]- 294.07719 173.6
[M+NH4]+ 313.11829 179.4
[M+K]+ 334.04763 171.1
[M+H-H2O]+ 278.08173 156.7
[M+HCOO]- 340.08267 187.9
[M+CH3COO]- 354.09832 204.6
[M+Na-2H]- 316.05914 171.7
[M]+ 295.08392 167.9
[M]- 295.08502 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