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	212.1
[M+Na]+	486.16604	225.1
[M-H]-	462.16954	216.4
[M+NH4]+	481.21064	216.7
[M+K]+	502.13998	217.1
[M+H-H2O]+	446.17408	198.8
[M+HCOO]-	508.17502	226.8
[M+CH3COO]-	522.19067	220.2
[M+Na-2H]-	484.15149	211.6
[M]+	463.17627	220.9
[M]-	463.17737	220.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

464.18410

212.1

[M+Na]+

486.16604

225.1

[M-H]-

462.16954

216.4

[M+NH4]+

481.21064

216.7

[M+K]+

502.13998

217.1

[M+H-H2O]+

446.17408

198.8

[M+HCOO]-

508.17502

226.8

[M+CH3COO]-

522.19067

220.2

[M+Na-2H]-

484.15149

211.6

[M]+

463.17627

220.9

[M]-

463.17737

220.9

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