CID 2811303

Maybridge3_002104

Structural Information

Molecular Formula
C20H16N2O4
SMILES
C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(N=CC=C3)OC4=CC=CC=C4
InChI
InChI=1S/C20H16N2O4/c23-19(22-12-14-8-9-17-18(11-14)25-13-24-17)16-7-4-10-21-20(16)26-15-5-2-1-3-6-15/h1-11H,12-13H2,(H,22,23)
InChIKey
VGRYUWWPNTVXIP-UHFFFAOYSA-N
Compound name
N-(1,3-benzodioxol-5-ylmethyl)-2-phenoxypyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

348.111 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.118276 179.2
[M+Na]+ 371.100218 185.5
[M-H]- 347.103724 189.7
[M+NH4]+ 366.144823 189.8
[M+K]+ 387.074158 183.6
[M+H-H2O]+ 331.108260 169.6
[M+HCOO]- 393.109201 199.6
[M+CH3COO]- 407.124851 190.0
[M+Na-2H]- 369.085666 184.8
[M]+ 348.11045142 181.8
[M]- 348.11154858 181.8
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.