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

33
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 179.9
[M+Na]+ 371.10022 184.6
[M-H]- 347.10372 189.1
[M+NH4]+ 366.14482 189.1
[M+K]+ 387.07416 177.0
[M+H-H2O]+ 331.10826 173.0
[M+HCOO]- 393.10920 199.0
[M+CH3COO]- 407.12485 206.8
[M+Na-2H]- 369.08567 188.0
[M]+ 348.11045 177.6
[M]- 348.11155 177.6
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.