PubChemLite - Amg 487 (C32H28F3N5O4)

Structural Information

Molecular Formula

SMILES

CCOC1=CC=C(C=C1)N2C(=O)C3=C(N=CC=C3)N=C2[C@@H](C)N(CC4=CN=CC=C4)C(=O)CC5=CC=C(C=C5)OC(F)(F)F

InChI

InChI=1S/C32H28F3N5O4/c1-3-43-25-14-10-24(11-15-25)40-30(38-29-27(31(40)42)7-5-17-37-29)21(2)39(20-23-6-4-16-36-19-23)28(41)18-22-8-12-26(13-9-22)44-32(33,34)35/h4-17,19,21H,3,18,20H2,1-2H3/t21-/m1/s1

InChIKey

WQTKNBPCJKRYPA-OAQYLSRUSA-N

Compound name

N-[(1R)-1-[3-(4-ethoxyphenyl)-4-oxopyrido[2,3-d]pyrimidin-2-yl]ethyl]-N-(pyridin-3-ylmethyl)-2-[4-(trifluoromethoxy)phenyl]acetamide

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]+	604.21663	235.5
[M+Na]+	626.19857	247.2
[M+NH4]+	621.24317	236.8
[M+K]+	642.17251	241.1
[M-H]-	602.20207	236.9
[M+Na-2H]-	624.18402	242.8
[M]+	603.20880	237.3
[M]-	603.20990	237.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

604.21663

235.5

[M+Na]+

626.19857

247.2

[M+NH4]+

621.24317

236.8

[M+K]+

642.17251

241.1

[M-H]-

602.20207

236.9

[M+Na-2H]-

624.18402

242.8

[M]+

603.20880

237.3

[M]-

603.20990

237.3

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

Amg 487

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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