Rpr 200765a (C24H25FN4O4)

Structural Information

Molecular Formula

SMILES

CC1(COC(OC1)C2=NC(=C(N2)C3=CC=NC=C3)C4=CC=C(C=C4)F)C(=O)N5CCOCC5

InChI

InChI=1S/C24H25FN4O4/c1-24(23(30)29-10-12-31-13-11-29)14-32-22(33-15-24)21-27-19(16-2-4-18(25)5-3-16)20(28-21)17-6-8-26-9-7-17/h2-9,22H,10-15H2,1H3,(H,27,28)

InChIKey

YEQUJOKCSZTBFS-UHFFFAOYSA-N

Compound name

[2-[4-(4-fluorophenyl)-5-pyridin-4-yl-1H-imidazol-2-yl]-5-methyl-1,3-dioxan-5-yl]-morpholin-4-ylmethanone

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]+	453.193246	209.4
[M+Na]+	475.175188	213.6
[M-H]-	451.178694	217.9
[M+NH4]+	470.219793	209.8
[M+K]+	491.149128	210.6
[M+H-H2O]+	435.183230	195.0
[M+HCOO]-	497.184171	215.2
[M+CH3COO]-	511.199821	214.8
[M+Na-2H]-	473.160636	206.3
[M]+	452.18542142	203.3
[M]-	452.18651858	203.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

453.193246

209.4

[M+Na]+

475.175188

213.6

[M-H]-

451.178694

217.9

[M+NH4]+

470.219793

209.8

[M+K]+

491.149128

210.6

[M+H-H2O]+

435.183230

195.0

[M+HCOO]-

497.184171

215.2

[M+CH3COO]-

511.199821

214.8

[M+Na-2H]-

473.160636

206.3

[M]+

452.18542142

203.3

[M]-

452.18651858

203.3

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

Rpr 200765a

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe