PubChemLite - Pf-04691502 (C22H27N5O4)

Structural Information

Molecular Formula

SMILES

CC1=C2C=C(C(=O)N(C2=NC(=N1)N)C3CCC(CC3)OCCO)C4=CN=C(C=C4)OC

InChI

InChI=1S/C22H27N5O4/c1-13-17-11-18(14-3-8-19(30-2)24-12-14)21(29)27(20(17)26-22(23)25-13)15-4-6-16(7-5-15)31-10-9-28/h3,8,11-12,15-16,28H,4-7,9-10H2,1-2H3,(H2,23,25,26)

InChIKey

XDLYKKIQACFMJG-UHFFFAOYSA-N

Compound name

2-amino-8-[4-(2-hydroxyethoxy)cyclohexyl]-6-(6-methoxypyridin-3-yl)-4-methylpyrido[2,3-d]pyrimidin-7-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]+	426.21358	205.9
[M+Na]+	448.19552	219.9
[M+NH4]+	443.24012	210.4
[M+K]+	464.16946	213.2
[M-H]-	424.19902	209.7
[M+Na-2H]-	446.18097	211.3
[M]+	425.20575	208.8
[M]-	425.20685	208.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

426.21358

205.9

[M+Na]+

448.19552

219.9

[M+NH4]+

443.24012

210.4

[M+K]+

464.16946

213.2

[M-H]-

424.19902

209.7

[M+Na-2H]-

446.18097

211.3

[M]+

425.20575

208.8

[M]-

425.20685

208.8

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

Pf-04691502

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe