CID 2799697

Maybridge1_001348

Structural Information

Molecular Formula
C18H14N2O4
SMILES
C1=CC=C(C=C1)COC2=CC=C(C=C2)OC3=C(C=CC=N3)[N+](=O)[O-]
InChI
InChI=1S/C18H14N2O4/c21-20(22)17-7-4-12-19-18(17)24-16-10-8-15(9-11-16)23-13-14-5-2-1-3-6-14/h1-12H,13H2
InChIKey
ASRRYTJDPMUOHW-UHFFFAOYSA-N
Compound name
3-nitro-2-(4-phenylmethoxyphenoxy)pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

322.09537 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.102646 173.5
[M+Na]+ 345.084588 178.9
[M-H]- 321.088094 181.6
[M+NH4]+ 340.129193 184.2
[M+K]+ 361.058528 170.9
[M+H-H2O]+ 305.092630 167.1
[M+HCOO]- 367.093571 197.5
[M+CH3COO]- 381.109221 200.8
[M+Na-2H]- 343.070036 181.6
[M]+ 322.09482142 173.6
[M]- 322.09591858 173.6
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

No patent data available for this compound.