PubChemLite - Cbz-f-[psi]-(2s)-f-nh-ibu (C30H38N3O5P)

Structural Information

Molecular Formula

SMILES

CC(C)CNC(=O)[C@H](CC1=CC=CC=C1)NP(=O)(C(CC2=CC=CC=C2)NC(=O)OCC3=CC=CC=C3)OC

InChI

InChI=1S/C30H38N3O5P/c1-23(2)21-31-29(34)27(19-24-13-7-4-8-14-24)33-39(36,37-3)28(20-25-15-9-5-10-16-25)32-30(35)38-22-26-17-11-6-12-18-26/h4-18,23,27-28H,19-22H2,1-3H3,(H,31,34)(H,32,35)(H,33,36)/t27-,28?,39?/m0/s1

InChIKey

SKPOMOPVVVHVKN-ZSYCVHBZSA-N

Compound name

benzyl N-[1-[methoxy-[[(2S)-1-(2-methylpropylamino)-1-oxo-3-phenylpropan-2-yl]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]+	552.26218	234.7
[M+Na]+	574.24412	230.4
[M-H]-	550.24762	240.3
[M+NH4]+	569.28872	236.5
[M+K]+	590.21806	228.9
[M+H-H2O]+	534.25216	220.3
[M+HCOO]-	596.25310	257.3
[M+CH3COO]-	610.26875	257.8
[M+Na-2H]-	572.22957	230.6
[M]+	551.25435	235.8
[M]-	551.25545	235.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

552.26218

234.7

[M+Na]+

574.24412

230.4

[M-H]-

550.24762

240.3

[M+NH4]+

569.28872

236.5

[M+K]+

590.21806

228.9

[M+H-H2O]+

534.25216

220.3

[M+HCOO]-

596.25310

257.3

[M+CH3COO]-

610.26875

257.8

[M+Na-2H]-

572.22957

230.6

[M]+

551.25435

235.8

[M]-

551.25545

235.8

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

Cbz-f-[psi]-(2s)-f-nh-ibu

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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