CID 484997

Chembl102804

Structural Information

Molecular Formula
C20H21N3O2
SMILES
CC[C@@H](C)OC1=CC=CC=C1CNC(=O)C2=NC3=C(C=C2)C=NC=C3
InChI
InChI=1S/C20H21N3O2/c1-3-14(2)25-19-7-5-4-6-16(19)13-22-20(24)18-9-8-15-12-21-11-10-17(15)23-18/h4-12,14H,3,13H2,1-2H3,(H,22,24)/t14-/m1/s1
InChIKey
QBIVRVOTCLJESK-CQSZACIVSA-N
Compound name
N-[[2-[(2R)-butan-2-yl]oxyphenyl]methyl]-1,6-naphthyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

335.1634 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.17068 181.0
[M+Na]+ 358.15262 186.7
[M-H]- 334.15612 185.3
[M+NH4]+ 353.19722 192.0
[M+K]+ 374.12656 181.9
[M+H-H2O]+ 318.16066 170.3
[M+HCOO]- 380.16160 199.9
[M+CH3COO]- 394.17725 214.5
[M+Na-2H]- 356.13807 185.9
[M]+ 335.16285 182.6
[M]- 335.16395 182.6
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

No patent data available for this compound.