Fmoc-arg(pmc)-oh (C35H42N4O7S)

Structural Information

Molecular Formula

SMILES

CC1=C(C(=C(C2=C1OC(CC2)(C)C)C)S(=O)(=O)NC(=NCCC[C@@H](C(=O)O)NC(=O)OCC3C4=CC=CC=C4C5=CC=CC=C35)N)C

InChI

InChI=1S/C35H42N4O7S/c1-20-21(2)31(22(3)23-16-17-35(4,5)46-30(20)23)47(43,44)39-33(36)37-18-10-15-29(32(40)41)38-34(42)45-19-28-26-13-8-6-11-24(26)25-12-7-9-14-27(25)28/h6-9,11-14,28-29H,10,15-19H2,1-5H3,(H,38,42)(H,40,41)(H3,36,37,39)/t29-/m0/s1

InChIKey

QTWZCODKTSUZJN-LJAQVGFWSA-N

Compound name

(2S)-5-[[amino-[(2,2,5,7,8-pentamethyl-3,4-dihydrochromen-6-yl)sulfonylamino]methylidene]amino]-2-(9H-fluoren-9-ylmethoxycarbonylamino)pentanoic acid

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]+	663.284676	253.8
[M+Na]+	685.266618	253.9
[M-H]-	661.270124	260.2
[M+NH4]+	680.311223	257.4
[M+K]+	701.240558	253.5
[M+H-H2O]+	645.274660	246.2
[M+HCOO]-	707.275601	261.0
[M+CH3COO]-	721.291251	283.3
[M+Na-2H]-	683.252066	255.0
[M]+	662.27685142	260.0
[M]-	662.27794858	260.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

663.284676

253.8

[M+Na]+

685.266618

253.9

[M-H]-

661.270124

260.2

[M+NH4]+

680.311223

257.4

[M+K]+

701.240558

253.5

[M+H-H2O]+

645.274660

246.2

[M+HCOO]-

707.275601

261.0

[M+CH3COO]-

721.291251

283.3

[M+Na-2H]-

683.252066

255.0

[M]+

662.27685142

260.0

[M]-

662.27794858

260.0

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

Fmoc-arg(pmc)-oh

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe