CID 336382

78439-67-5

Structural Information

Molecular Formula
C18H12N2O4
SMILES
COC1=C2C(=C(C3=C1OC=C3)N=CC4=CC=NC=C4)C=CC(=O)O2
InChI
InChI=1S/C18H12N2O4/c1-22-18-16-13(6-9-23-16)15(12-2-3-14(21)24-17(12)18)20-10-11-4-7-19-8-5-11/h2-10H,1H3
InChIKey
UDOVBHTUBOROTA-UHFFFAOYSA-N
Compound name
9-methoxy-4-(pyridin-4-ylmethylideneamino)furo[3,2-g]chromen-7-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.0797 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.08698 170.8
[M+Na]+ 343.06892 183.1
[M-H]- 319.07242 182.1
[M+NH4]+ 338.11352 185.5
[M+K]+ 359.04286 180.8
[M+H-H2O]+ 303.07696 162.1
[M+HCOO]- 365.07790 195.8
[M+CH3COO]- 379.09355 184.6
[M+Na-2H]- 341.05437 179.8
[M]+ 320.07915 179.4
[M]- 320.08025 179.4
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.