PubChemLite - 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]+	453.19325	210.3
[M+Na]+	475.17519	223.2
[M+NH4]+	470.21979	215.7
[M+K]+	491.14913	217.8
[M-H]-	451.17869	218.5
[M+Na-2H]-	473.16064	217.1
[M]+	452.18542	214.4
[M]-	452.18652	214.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

453.19325

210.3

[M+Na]+

475.17519

223.2

[M+NH4]+

470.21979

215.7

[M+K]+

491.14913

217.8

[M-H]-

451.17869

218.5

[M+Na-2H]-

473.16064

217.1

[M]+

452.18542

214.4

[M]-

452.18652

214.4

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