PubChemLite - 100898-63-3 (C32H33N3O7)

Structural Information

Molecular Formula

SMILES

CC(=O)NC1=NC(=O)N(C=C1)[C@H]2C[C@@H]([C@H](O2)COC(C3=CC=CC=C3)(C4=CC=C(C=C4)OC)C5=CC=C(C=C5)OC)O

InChI

InChI=1S/C32H33N3O7/c1-21(36)33-29-17-18-35(31(38)34-29)30-19-27(37)28(42-30)20-41-32(22-7-5-4-6-8-22,23-9-13-25(39-2)14-10-23)24-11-15-26(40-3)16-12-24/h4-18,27-28,30,37H,19-20H2,1-3H3,(H,33,34,36,38)/t27-,28+,30+/m0/s1

InChIKey

FHZQVUQHQIUSPM-PKZQBKLLSA-N

Compound name

N-[1-[(2R,4S,5R)-5-[[bis(4-methoxyphenyl)-phenylmethoxy]methyl]-4-hydroxyoxolan-2-yl]-2-oxopyrimidin-4-yl]acetamide

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]+	572.23918	235.4
[M+Na]+	594.22112	238.0
[M-H]-	570.22462	247.7
[M+NH4]+	589.26572	234.1
[M+K]+	610.19506	235.5
[M+H-H2O]+	554.22916	222.1
[M+HCOO]-	616.23010	249.3
[M+CH3COO]-	630.24575	253.8
[M+Na-2H]-	592.20657	233.9
[M]+	571.23135	238.5
[M]-	571.23245	238.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

572.23918

235.4

[M+Na]+

594.22112

238.0

[M-H]-

570.22462

247.7

[M+NH4]+

589.26572

234.1

[M+K]+

610.19506

235.5

[M+H-H2O]+

554.22916

222.1

[M+HCOO]-

616.23010

249.3

[M+CH3COO]-

630.24575

253.8

[M+Na-2H]-

592.20657

233.9

[M]+

571.23135

238.5

[M]-

571.23245

238.5

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

100898-63-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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