CID 17978512

Orm-10103

Structural Information

Molecular Formula
C20H16N2O4
SMILES
C1CC2=C(C=CC(=C2)OC3=NC=C(C=C3)[N+](=O)[O-])OC1C4=CC=CC=C4
InChI
InChI=1S/C20H16N2O4/c23-22(24)16-7-11-20(21-13-16)25-17-8-10-19-15(12-17)6-9-18(26-19)14-4-2-1-3-5-14/h1-5,7-8,10-13,18H,6,9H2
InChIKey
GZONLGPIHCCJOI-UHFFFAOYSA-N
Compound name
5-nitro-2-[(2-phenyl-3,4-dihydro-2H-chromen-6-yl)oxy]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

20
Patents

348.111 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.11828 179.1
[M+Na]+ 371.10022 196.5
[M+NH4]+ 366.14482 187.7
[M+K]+ 387.07416 190.4
[M-H]- 347.10372 188.7
[M+Na-2H]- 369.08567 189.1
[M]+ 348.11045 184.4
[M]- 348.11155 184.4
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