CID 856136

N-(4-amino-2-methoxyphenyl)pyridine-3-carboxamide

Structural Information

Molecular Formula
C13H13N3O2
SMILES
COC1=C(C=CC(=C1)N)NC(=O)C2=CN=CC=C2
InChI
InChI=1S/C13H13N3O2/c1-18-12-7-10(14)4-5-11(12)16-13(17)9-3-2-6-15-8-9/h2-8H,14H2,1H3,(H,16,17)
InChIKey
FYMHBXHJILVCKD-UHFFFAOYSA-N
Compound name
N-(4-amino-2-methoxyphenyl)pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

243.10077 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.108046 153.7
[M+Na]+ 266.089988 160.8
[M-H]- 242.093494 159.0
[M+NH4]+ 261.134593 168.8
[M+K]+ 282.063928 157.6
[M+H-H2O]+ 226.098030 145.0
[M+HCOO]- 288.098971 178.2
[M+CH3COO]- 302.114621 196.8
[M+Na-2H]- 264.075436 159.5
[M]+ 243.10022142 152.7
[M]- 243.10131858 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

No literature data available for this compound.

Patent stripe

patents stripe