PubChemLite - 1799967-04-6 (C23H29F2N5O2)

Structural Information

Molecular Formula

SMILES

CC(C)NC1=NC2=C(CCN(C2)C(=O)C)N=C1N3CCC(CC3)OC4=C(C=C(C=C4)F)F

InChI

InChI=1S/C23H29F2N5O2/c1-14(2)26-22-23(28-19-8-11-30(15(3)31)13-20(19)27-22)29-9-6-17(7-10-29)32-21-5-4-16(24)12-18(21)25/h4-5,12,14,17H,6-11,13H2,1-3H3,(H,26,27)

InChIKey

FSUXDPIOBQLEKO-UHFFFAOYSA-N

Compound name

1-[2-[4-(2,4-difluorophenoxy)piperidin-1-yl]-3-(propan-2-ylamino)-7,8-dihydro-5H-pyrido[3,4-b]pyrazin-6-yl]ethanone

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]+	446.23622	212.1
[M+Na]+	468.21816	216.3
[M-H]-	444.22166	213.3
[M+NH4]+	463.26276	215.7
[M+K]+	484.19210	209.6
[M+H-H2O]+	428.22620	197.1
[M+HCOO]-	490.22714	218.8
[M+CH3COO]-	504.24279	237.0
[M+Na-2H]-	466.20361	208.7
[M]+	445.22839	205.6
[M]-	445.22949	205.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

446.23622

212.1

[M+Na]+

468.21816

216.3

[M-H]-

444.22166

213.3

[M+NH4]+

463.26276

215.7

[M+K]+

484.19210

209.6

[M+H-H2O]+

428.22620

197.1

[M+HCOO]-

490.22714

218.8

[M+CH3COO]-

504.24279

237.0

[M+Na-2H]-

466.20361

208.7

[M]+

445.22839

205.6

[M]-

445.22949

205.6

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

1799967-04-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe