CID 485000

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

Structural Information

Molecular Formula
C16H13N3O
SMILES
C1=CC=C(C=C1)CNC(=O)C2=NC3=C(C=C2)C=NC=C3
InChI
InChI=1S/C16H13N3O/c20-16(18-10-12-4-2-1-3-5-12)15-7-6-13-11-17-9-8-14(13)19-15/h1-9,11H,10H2,(H,18,20)
InChIKey
HYFLXRRZJNKZAW-UHFFFAOYSA-N
Compound name
N-benzyl-1,6-naphthyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

263.10587 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.11315 159.1
[M+Na]+ 286.09509 166.2
[M-H]- 262.09859 163.6
[M+NH4]+ 281.13969 173.0
[M+K]+ 302.06903 161.0
[M+H-H2O]+ 246.10313 149.1
[M+HCOO]- 308.10407 180.2
[M+CH3COO]- 322.11972 170.1
[M+Na-2H]- 284.08054 168.1
[M]+ 263.10532 158.2
[M]- 263.10642 158.2
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