CID 485002

N-phenethyl-1,6-naphthyridine-2-carboxamide

Structural Information

Molecular Formula
C17H15N3O
SMILES
C1=CC=C(C=C1)CCNC(=O)C2=NC3=C(C=C2)C=NC=C3
InChI
InChI=1S/C17H15N3O/c21-17(19-11-8-13-4-2-1-3-5-13)16-7-6-14-12-18-10-9-15(14)20-16/h1-7,9-10,12H,8,11H2,(H,19,21)
InChIKey
PQSMVQIVPPFZGT-UHFFFAOYSA-N
Compound name
N-(2-phenylethyl)-1,6-naphthyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

277.12152 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.12880 163.6
[M+Na]+ 300.11074 170.3
[M-H]- 276.11424 167.9
[M+NH4]+ 295.15534 177.0
[M+K]+ 316.08468 164.8
[M+H-H2O]+ 260.11878 153.4
[M+HCOO]- 322.11972 184.4
[M+CH3COO]- 336.13537 174.2
[M+Na-2H]- 298.09619 172.1
[M]+ 277.12097 163.0
[M]- 277.12207 163.0
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

patents stripe