CID 57839444

4-[4-(aminomethyl)phenoxy]-n-methylpyridine-2-carboxamide

Structural Information

Molecular Formula
C14H15N3O2
SMILES
CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)CN
InChI
InChI=1S/C14H15N3O2/c1-16-14(18)13-8-12(6-7-17-13)19-11-4-2-10(9-15)3-5-11/h2-8H,9,15H2,1H3,(H,16,18)
InChIKey
MWOOZSDQWNBUOG-UHFFFAOYSA-N
Compound name
4-[4-(aminomethyl)phenoxy]-N-methylpyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

257.11642 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 258.12370 158.2
[M+Na]+ 280.10564 164.9
[M-H]- 256.10914 163.3
[M+NH4]+ 275.15024 172.7
[M+K]+ 296.07958 161.4
[M+H-H2O]+ 240.11368 149.3
[M+HCOO]- 302.11462 182.3
[M+CH3COO]- 316.13027 199.8
[M+Na-2H]- 278.09109 163.5
[M]+ 257.11587 157.6
[M]- 257.11697 157.6
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