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 204.8
[M+Na]+ 448.15194 209.1
[M-H]- 424.15544 214.9
[M+NH4]+ 443.19654 211.3
[M+K]+ 464.12588 203.6
[M+H-H2O]+ 408.15998 191.5
[M+HCOO]- 470.16092 225.2
[M+CH3COO]- 484.17657 212.9
[M+Na-2H]- 446.13739 207.9
[M]+ 425.16217 207.4
[M]- 425.16327 207.4
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

patents stripe