PubChemLite - Fmoc-arg(mts)-oh (C30H34N4O6S)

Structural Information

Molecular Formula

SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)NC(=NCCC[C@@H](C(=O)O)NC(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)N)C

InChI

InChI=1S/C30H34N4O6S/c1-18-15-19(2)27(20(3)16-18)41(38,39)34-29(31)32-14-8-13-26(28(35)36)33-30(37)40-17-25-23-11-6-4-9-21(23)22-10-5-7-12-24(22)25/h4-7,9-12,15-16,25-26H,8,13-14,17H2,1-3H3,(H,33,37)(H,35,36)(H3,31,32,34)/t26-/m0/s1

InChIKey

JHMUQIZIPLJEHW-SANMLTNESA-N

Compound name

(2S)-5-[[amino-[(2,4,6-trimethylphenyl)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]+	579.22718	235.8
[M+Na]+	601.20912	236.8
[M-H]-	577.21262	242.2
[M+NH4]+	596.25372	241.3
[M+K]+	617.18306	234.0
[M+H-H2O]+	561.21716	227.4
[M+HCOO]-	623.21810	249.0
[M+CH3COO]-	637.23375	265.2
[M+Na-2H]-	599.19457	235.7
[M]+	578.21935	241.0
[M]-	578.22045	241.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

579.22718

235.8

[M+Na]+

601.20912

236.8

[M-H]-

577.21262

242.2

[M+NH4]+

596.25372

241.3

[M+K]+

617.18306

234.0

[M+H-H2O]+

561.21716

227.4

[M+HCOO]-

623.21810

249.0

[M+CH3COO]-

637.23375

265.2

[M+Na-2H]-

599.19457

235.7

[M]+

578.21935

241.0

[M]-

578.22045

241.0

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

Fmoc-arg(mts)-oh

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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