CID 11653141

Carbon c 11 pbr-28

Structural Information

Molecular Formula
C21H20N2O3
SMILES
CC(=O)N(CC1=CC=CC=C1O[11CH3])C2=C(C=CN=C2)OC3=CC=CC=C3
InChI
InChI=1S/C21H20N2O3/c1-16(24)23(15-17-8-6-7-11-20(17)25-2)19-14-22-13-12-21(19)26-18-9-4-3-5-10-18/h3-14H,15H2,1-2H3/i2-1
InChIKey
DHZBNHMEIOBPAE-JVVVGQRLSA-N
Compound name
N-[(2-(111C)methoxyphenyl)methyl]-N-(4-phenoxypyridin-3-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

24
Patents

347.1588 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.16608 183.1
[M+Na]+ 370.14802 188.6
[M-H]- 346.15152 192.4
[M+NH4]+ 365.19262 194.2
[M+K]+ 386.12196 185.4
[M+H-H2O]+ 330.15606 171.8
[M+HCOO]- 392.15700 206.2
[M+CH3COO]- 406.17265 217.5
[M+Na-2H]- 368.13347 187.0
[M]+ 347.15825 186.3
[M]- 347.15935 186.3
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