CID 16655129

4-(4-aminophenoxy)-n-methylpicolinamide

Structural Information

Molecular Formula
C13H13N3O2
SMILES
CNC(=O)C1=NC=CC(=C1)OC2=CC=C(C=C2)N
InChI
InChI=1S/C13H13N3O2/c1-15-13(17)12-8-11(6-7-16-12)18-10-4-2-9(14)3-5-10/h2-8H,14H2,1H3,(H,15,17)
InChIKey
RXZZBPYPZLAEFC-UHFFFAOYSA-N
Compound name
4-(4-aminophenoxy)-N-methylpyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

528
Patents

243.10077 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.10805 153.7
[M+Na]+ 266.08999 160.8
[M-H]- 242.09349 159.0
[M+NH4]+ 261.13459 168.8
[M+K]+ 282.06393 157.6
[M+H-H2O]+ 226.09803 145.0
[M+HCOO]- 288.09897 178.2
[M+CH3COO]- 302.11462 196.8
[M+Na-2H]- 264.07544 159.5
[M]+ 243.10022 152.7
[M]- 243.10132 152.7
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