CID 2352168

4-phenoxy-n-(pyridin-2-ylmethyl)benzamide

Structural Information

Molecular Formula
C19H16N2O2
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)C(=O)NCC3=CC=CC=N3
InChI
InChI=1S/C19H16N2O2/c22-19(21-14-16-6-4-5-13-20-16)15-9-11-18(12-10-15)23-17-7-2-1-3-8-17/h1-13H,14H2,(H,21,22)
InChIKey
HVLSCZSVTCNAQX-UHFFFAOYSA-N
Compound name
4-phenoxy-N-(pyridin-2-ylmethyl)benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

304.1212 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.12848 170.6
[M+Na]+ 327.11042 176.2
[M-H]- 303.11392 178.5
[M+NH4]+ 322.15502 182.7
[M+K]+ 343.08436 171.2
[M+H-H2O]+ 287.11846 160.1
[M+HCOO]- 349.11940 193.8
[M+CH3COO]- 363.13505 181.2
[M+Na-2H]- 325.09587 177.1
[M]+ 304.12065 170.1
[M]- 304.12175 170.1
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

patents stripe