PubChemLite - Cbz-f-[psi]-g-i-nh-ibu (C29H43N4O6P)

Structural Information

Molecular Formula

SMILES

CC[C@H](C)[C@@H](C(=O)NCC(C)C)NC(=O)CNP(=O)(C(CC1=CC=CC=C1)NC(=O)OCC2=CC=CC=C2)OC

InChI

InChI=1S/C29H43N4O6P/c1-6-22(4)27(28(35)30-18-21(2)3)32-25(34)19-31-40(37,38-5)26(17-23-13-9-7-10-14-23)33-29(36)39-20-24-15-11-8-12-16-24/h7-16,21-22,26-27H,6,17-20H2,1-5H3,(H,30,35)(H,31,37)(H,32,34)(H,33,36)/t22-,26?,27-,40?/m0/s1

InChIKey

YOMVSPZDFKQHJN-DPXZEVFOSA-N

Compound name

benzyl N-[1-[methoxy-[[2-[[(2S,3S)-3-methyl-1-(2-methylpropylamino)-1-oxopentan-2-yl]amino]-2-oxoethyl]amino]phosphoryl]-2-phenylethyl]carbamate

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]+	575.29928	241.3
[M+Na]+	597.28122	235.4
[M-H]-	573.28472	243.8
[M+NH4]+	592.32582	231.3
[M+K]+	613.25516	236.5
[M+H-H2O]+	557.28926	228.0
[M+HCOO]-	619.29020	223.9
[M+CH3COO]-	633.30585	266.6
[M+Na-2H]-	595.26667	234.2
[M]+	574.29145	243.8
[M]-	574.29255	243.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

575.29928

241.3

[M+Na]+

597.28122

235.4

[M-H]-

573.28472

243.8

[M+NH4]+

592.32582

231.3

[M+K]+

613.25516

236.5

[M+H-H2O]+

557.28926

228.0

[M+HCOO]-

619.29020

223.9

[M+CH3COO]-

633.30585

266.6

[M+Na-2H]-

595.26667

234.2

[M]+

574.29145

243.8

[M]-

574.29255

243.8

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

Cbz-f-[psi]-g-i-nh-ibu

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe