Fmoc-phe-psi[co n(oh)]-gly-pro-nh tbu (C35H40N4O6)

Structural Information

Molecular Formula

SMILES

CC(C)(C)NC(=O)[C@H]1CCCN1C(=O)CN(C(=O)[C@H](CC2=CC=CC=C2)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)O

InChI

InChI=1S/C35H40N4O6/c1-35(2,3)37-32(41)30-18-11-19-38(30)31(40)21-39(44)33(42)29(20-23-12-5-4-6-13-23)36-34(43)45-22-28-26-16-9-7-14-24(26)25-15-8-10-17-27(25)28/h4-10,12-17,28-30,44H,11,18-22H2,1-3H3,(H,36,43)(H,37,41)/t29-,30+/m0/s1

InChIKey

BXSFWRLBNNSYHM-XZWHSSHBSA-N

Compound name

9H-fluoren-9-ylmethyl N-[(2S)-1-[[2-[(2R)-2-(tert-butylcarbamoyl)pyrrolidin-1-yl]-2-oxoethyl]-hydroxyamino]-1-oxo-3-phenylpropan-2-yl]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]+	613.302076	242.0
[M+Na]+	635.284018	238.1
[M-H]-	611.287524	250.5
[M+NH4]+	630.328623	245.5
[M+K]+	651.257958	237.5
[M+H-H2O]+	595.292060	233.1
[M+HCOO]-	657.293001	254.2
[M+CH3COO]-	671.308651	268.4
[M+Na-2H]-	633.269466	237.7
[M]+	612.29425142	242.6
[M]-	612.29534858	242.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

613.302076

242.0

[M+Na]+

635.284018

238.1

[M-H]-

611.287524

250.5

[M+NH4]+

630.328623

245.5

[M+K]+

651.257958

237.5

[M+H-H2O]+

595.292060

233.1

[M+HCOO]-

657.293001

254.2

[M+CH3COO]-

671.308651

268.4

[M+Na-2H]-

633.269466

237.7

[M]+

612.29425142

242.6

[M]-

612.29534858

242.6

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

Fmoc-phe-psi[co n(oh)]-gly-pro-nh tbu

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe