CID 483317

N-[(2-ethylphenyl)methyl]-1,6-naphthyridine-2-carboxamide

Structural Information

Molecular Formula
C18H17N3O
SMILES
CCC1=CC=CC=C1CNC(=O)C2=NC3=C(C=C2)C=NC=C3
InChI
InChI=1S/C18H17N3O/c1-2-13-5-3-4-6-14(13)12-20-18(22)17-8-7-15-11-19-10-9-16(15)21-17/h3-11H,2,12H2,1H3,(H,20,22)
InChIKey
HRIUGBVCWYHMLT-UHFFFAOYSA-N
Compound name
N-[(2-ethylphenyl)methyl]-1,6-naphthyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

291.13718 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.14446 168.9
[M+Na]+ 314.12640 176.1
[M-H]- 290.12990 173.4
[M+NH4]+ 309.17100 182.0
[M+K]+ 330.10034 170.4
[M+H-H2O]+ 274.13444 158.7
[M+HCOO]- 336.13538 189.3
[M+CH3COO]- 350.15103 179.4
[M+Na-2H]- 312.11185 176.0
[M]+ 291.13663 169.0
[M]- 291.13773 169.0
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

No patent data available for this compound.