PubChemLite - Am-0687 (C23H19FN8O)

Structural Information

Molecular Formula

SMILES

C[C@@H](C1=NC2=C(C=C(C=C2)F)C(=C1C3=CC=CC=N3)C(=O)NC)NC4=NC=NC(=C4C#N)N

InChI

InChI=1S/C23H19FN8O/c1-12(31-22-15(10-25)21(26)29-11-30-22)20-19(17-5-3-4-8-28-17)18(23(33)27-2)14-9-13(24)6-7-16(14)32-20/h3-9,11-12H,1-2H3,(H,27,33)(H3,26,29,30,31)/t12-/m0/s1

InChIKey

OLJXUPJOUSFYSX-LBPRGKRZSA-N

Compound name

2-[(1S)-1-[(6-amino-5-cyanopyrimidin-4-yl)amino]ethyl]-6-fluoro-N-methyl-3-pyridin-2-ylquinoline-4-carboxamide

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]+	443.17388	210.6
[M+Na]+	465.15582	223.1
[M+NH4]+	460.20042	211.4
[M+K]+	481.12976	212.9
[M-H]-	441.15932	207.1
[M+Na-2H]-	463.14127	214.4
[M]+	442.16605	210.3
[M]-	442.16715	210.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

443.17388

210.6

[M+Na]+

465.15582

223.1

[M+NH4]+

460.20042

211.4

[M+K]+

481.12976

212.9

[M-H]-

441.15932

207.1

[M+Na-2H]-

463.14127

214.4

[M]+

442.16605

210.3

[M]-

442.16715

210.3

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

Am-0687

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe