PubChemLite - Amg-337 (C23H22FN7O3)

Structural Information

Molecular Formula

SMILES

C[C@H](C1=NN=C2N1C=C(C=C2F)C3=CN(N=C3)C)N4C=CC5=C(C4=O)C=C(C=N5)OCCOC

InChI

InChI=1S/C23H22FN7O3/c1-14(30-5-4-20-18(23(30)32)9-17(11-25-20)34-7-6-33-3)21-27-28-22-19(24)8-15(13-31(21)22)16-10-26-29(2)12-16/h4-5,8-14H,6-7H2,1-3H3/t14-/m1/s1

InChIKey

DWHXUGDWKAIASB-CQSZACIVSA-N

Compound name

6-[(1R)-1-[8-fluoro-6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-3-yl]ethyl]-3-(2-methoxyethoxy)-1,6-naphthyridin-5-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	464.18410	210.5
[M+Na]+	486.16604	226.8
[M+NH4]+	481.21064	213.9
[M+K]+	502.13998	223.9
[M-H]-	462.16954	211.7
[M+Na-2H]-	484.15149	216.7
[M]+	463.17627	213.1
[M]-	463.17737	213.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

464.18410

210.5

[M+Na]+

486.16604

226.8

[M+NH4]+

481.21064

213.9

[M+K]+

502.13998

223.9

[M-H]-

462.16954

211.7

[M+Na-2H]-

484.15149

216.7

[M]+

463.17627

213.1

[M]-

463.17737

213.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

Amg-337

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe