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]+ 258.123696 158.2
[M+Na]+ 280.105638 164.9
[M-H]- 256.109144 163.3
[M+NH4]+ 275.150243 172.7
[M+K]+ 296.079578 161.4
[M+H-H2O]+ 240.113680 149.3
[M+HCOO]- 302.114621 182.3
[M+CH3COO]- 316.130271 199.8
[M+Na-2H]- 278.091086 163.5
[M]+ 257.11587142 157.6
[M]- 257.11696858 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