PubChemLite - Mozenavir (C33H36N4O3)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C[C@@H]2[C@@H]([C@H]([C@H](N(C(=O)N2CC3=CC(=CC=C3)N)CC4=CC(=CC=C4)N)CC5=CC=CC=C5)O)O

InChI

InChI=1S/C33H36N4O3/c34-27-15-7-13-25(17-27)21-36-29(19-23-9-3-1-4-10-23)31(38)32(39)30(20-24-11-5-2-6-12-24)37(33(36)40)22-26-14-8-16-28(35)18-26/h1-18,29-32,38-39H,19-22,34-35H2/t29-,30-,31+,32+/m1/s1

InChIKey

KYRSNWPSSXSNEP-ZRTHHSRSSA-N

Compound name

(4R,5S,6S,7R)-1,3-bis[(3-aminophenyl)methyl]-4,7-dibenzyl-5,6-dihydroxy-1,3-diazepan-2-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]+	537.28603	246.3
[M+Na]+	559.26797	258.3
[M+NH4]+	554.31257	250.3
[M+K]+	575.24191	250.2
[M-H]-	535.27147	254.7
[M+Na-2H]-	557.25342	253.4
[M]+	536.27820	250.4
[M]-	536.27930	250.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

537.28603

246.3

[M+Na]+

559.26797

258.3

[M+NH4]+

554.31257

250.3

[M+K]+

575.24191

250.2

[M-H]-

535.27147

254.7

[M+Na-2H]-

557.25342

253.4

[M]+

536.27820

250.4

[M]-

536.27930

250.4

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

Mozenavir

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe