CID 483316

Chembl93486

Structural Information

Molecular Formula
C20H21N3O2
SMILES
CC1=CN=CC2=C1N=C(C=C2)C(=O)NCC3=CC=CC=C3OC(C)C
InChI
InChI=1S/C20H21N3O2/c1-13(2)25-18-7-5-4-6-15(18)12-22-20(24)17-9-8-16-11-21-10-14(3)19(16)23-17/h4-11,13H,12H2,1-3H3,(H,22,24)
InChIKey
XFSSECYBPPDAHQ-UHFFFAOYSA-N
Compound name
8-methyl-N-[(2-propan-2-yloxyphenyl)methyl]-1,6-naphthyridine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

335.1634 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.17068 181.6
[M+Na]+ 358.15262 188.2
[M-H]- 334.15612 186.3
[M+NH4]+ 353.19722 192.9
[M+K]+ 374.12656 183.4
[M+H-H2O]+ 318.16066 171.1
[M+HCOO]- 380.16160 200.4
[M+CH3COO]- 394.17725 215.7
[M+Na-2H]- 356.13807 185.7
[M]+ 335.16285 183.6
[M]- 335.16395 183.6
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