N2-(((9h-fluoren-9-yl)methoxy)carbonyl)-n2-trityl-l-asparagine (C38H32N2O5)

Structural Information

Molecular Formula

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)(C3=CC=CC=C3)N([C@@H](CC(=O)N)C(=O)O)C(=O)OCC4C5=CC=CC=C5C6=CC=CC=C46

InChI

InChI=1S/C38H32N2O5/c39-35(41)24-34(36(42)43)40(37(44)45-25-33-31-22-12-10-20-29(31)30-21-11-13-23-32(30)33)38(26-14-4-1-5-15-26,27-16-6-2-7-17-27)28-18-8-3-9-19-28/h1-23,33-34H,24-25H2,(H2,39,41)(H,42,43)/t34-/m0/s1

InChIKey

LEAIJCJTJSTEDG-UMSFTDKQSA-N

Compound name

(2S)-4-amino-2-[9H-fluoren-9-ylmethoxycarbonyl(trityl)amino]-4-oxobutanoic 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]+	597.238416	239.1
[M+Na]+	619.220358	237.2
[M-H]-	595.223864	250.5
[M+NH4]+	614.264963	241.4
[M+K]+	635.194298	233.9
[M+H-H2O]+	579.228400	227.4
[M+HCOO]-	641.229341	252.9
[M+CH3COO]-	655.244991	242.7
[M+Na-2H]-	617.205806	238.2
[M]+	596.23059142	238.1
[M]-	596.23168858	238.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

597.238416

239.1

[M+Na]+

619.220358

237.2

[M-H]-

595.223864

250.5

[M+NH4]+

614.264963

241.4

[M+K]+

635.194298

233.9

[M+H-H2O]+

579.228400

227.4

[M+HCOO]-

641.229341

252.9

[M+CH3COO]-

655.244991

242.7

[M+Na-2H]-

617.205806

238.2

[M]+

596.23059142

238.1

[M]-

596.23168858

238.1

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

N2-(((9h-fluoren-9-yl)methoxy)carbonyl)-n2-trityl-l-asparagine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe