CID 6480787

Stk935073

Structural Information

Molecular Formula
C18H14N2O4
SMILES
C1=CC=C(C=C1)COC2=COC(=CC2=O)C(=O)NC3=CN=CC=C3
InChI
InChI=1S/C18H14N2O4/c21-15-9-16(18(22)20-14-7-4-8-19-10-14)24-12-17(15)23-11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H,20,22)
InChIKey
IXMZEWYLMQQOCF-UHFFFAOYSA-N
Compound name
4-oxo-5-phenylmethoxy-N-pyridin-3-ylpyran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.09537 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.10265 173.2
[M+Na]+ 345.08459 180.3
[M-H]- 321.08809 182.4
[M+NH4]+ 340.12919 183.4
[M+K]+ 361.05853 177.3
[M+H-H2O]+ 305.09263 162.5
[M+HCOO]- 367.09357 196.3
[M+CH3COO]- 381.10922 207.2
[M+Na-2H]- 343.07004 180.0
[M]+ 322.09482 175.5
[M]- 322.09592 175.5
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.