CID 483320

N-[(5r)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,6-naphthyridine-2-carboxamide

Structural Information

Molecular Formula
C19H17N3O2
SMILES
C1C[C@H](C2=CC=CC=C2OC1)NC(=O)C3=NC4=C(C=C3)C=NC=C4
InChI
InChI=1S/C19H17N3O2/c23-19(17-8-7-13-12-20-10-9-15(13)21-17)22-16-5-3-11-24-18-6-2-1-4-14(16)18/h1-2,4,6-10,12,16H,3,5,11H2,(H,22,23)/t16-/m1/s1
InChIKey
PLKFLHGURBRELW-MRXNPFEDSA-N
Compound name
N-[(5R)-2,3,4,5-tetrahydro-1-benzoxepin-5-yl]-1,6-naphthyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

319.13208 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.13936 173.5
[M+Na]+ 342.12130 179.2
[M-H]- 318.12480 180.4
[M+NH4]+ 337.16590 184.3
[M+K]+ 358.09524 179.2
[M+H-H2O]+ 302.12934 164.1
[M+HCOO]- 364.13028 189.6
[M+CH3COO]- 378.14593 182.9
[M+Na-2H]- 340.10675 181.1
[M]+ 319.13153 169.3
[M]- 319.13263 169.3
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.