CID 14182499

112334-42-6

Structural Information

Molecular Formula
C27H23NO4
SMILES
C1=CC=C(C=C1)COC2=CC(=NC=C2OCC3=CC=CC=C3)C(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C27H23NO4/c29-27(32-20-23-14-8-3-9-15-23)24-16-25(30-18-21-10-4-1-5-11-21)26(17-28-24)31-19-22-12-6-2-7-13-22/h1-17H,18-20H2
InChIKey
NNVNDLCNXISESU-UHFFFAOYSA-N
Compound name
benzyl 4,5-bis(phenylmethoxy)pyridine-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

27
Patents

425.16272 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.17000 205.8
[M+Na]+ 448.15194 223.1
[M+NH4]+ 443.19654 213.0
[M+K]+ 464.12588 212.7
[M-H]- 424.15544 214.0
[M+Na-2H]- 446.13739 218.9
[M]+ 425.16217 210.9
[M]- 425.16327 210.9
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

patents stripe