CID 484996

Chembl105140

Structural Information

Molecular Formula
C20H21N3O2
SMILES
CC(C)(C)OC1=CC=CC=C1CNC(=O)C2=NC3=C(C=C2)C=NC=C3
InChI
InChI=1S/C20H21N3O2/c1-20(2,3)25-18-7-5-4-6-15(18)13-22-19(24)17-9-8-14-12-21-11-10-16(14)23-17/h4-12H,13H2,1-3H3,(H,22,24)
InChIKey
DQLIAXKQMTVRFT-UHFFFAOYSA-N
Compound name
N-[[2-[(2-methylpropan-2-yl)oxy]phenyl]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

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.17068 182.3
[M+Na]+ 358.15262 188.9
[M-H]- 334.15612 186.9
[M+NH4]+ 353.19722 193.7
[M+K]+ 374.12656 184.0
[M+H-H2O]+ 318.16066 172.2
[M+HCOO]- 380.16160 200.6
[M+CH3COO]- 394.17725 213.4
[M+Na-2H]- 356.13807 189.2
[M]+ 335.16285 184.0
[M]- 335.16395 184.0
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.