CID 13476758

72901-16-7

Structural Information

Molecular Formula
C20H17NO3
SMILES
CC(=O)OC1=CC=C(C=C1)C(C2=CC=C(C=C2)O)C3=CC=CC=N3
InChI
InChI=1S/C20H17NO3/c1-14(22)24-18-11-7-16(8-12-18)20(19-4-2-3-13-21-19)15-5-9-17(23)10-6-15/h2-13,20,23H,1H3
InChIKey
IGNJZSFTZVUILA-UHFFFAOYSA-N
Compound name
[4-[(4-hydroxyphenyl)-pyridin-2-ylmethyl]phenyl] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

16
Patents

319.12085 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.12813 175.0
[M+Na]+ 342.11007 181.1
[M-H]- 318.11357 182.0
[M+NH4]+ 337.15467 186.3
[M+K]+ 358.08401 176.4
[M+H-H2O]+ 302.11811 165.1
[M+HCOO]- 364.11905 194.5
[M+CH3COO]- 378.13470 204.9
[M+Na-2H]- 340.09552 178.1
[M]+ 319.12030 175.0
[M]- 319.12140 175.0
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