PubChemLite - Boc-d-asn(trt)-oh (C28H30N2O5)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC(=O)N[C@H](CC(=O)NC(C1=CC=CC=C1)(C2=CC=CC=C2)C3=CC=CC=C3)C(=O)O

InChI

InChI=1S/C28H30N2O5/c1-27(2,3)35-26(34)29-23(25(32)33)19-24(31)30-28(20-13-7-4-8-14-20,21-15-9-5-10-16-21)22-17-11-6-12-18-22/h4-18,23H,19H2,1-3H3,(H,29,34)(H,30,31)(H,32,33)/t23-/m1/s1

InChIKey

PYGOCFDOBSXROC-HSZRJFAPSA-N

Compound name

(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-(tritylamino)butanoic 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]+	475.22276	212.7
[M+Na]+	497.20470	211.8
[M-H]-	473.20820	219.3
[M+NH4]+	492.24930	217.4
[M+K]+	513.17864	209.4
[M+H-H2O]+	457.21274	202.6
[M+HCOO]-	519.21368	228.3
[M+CH3COO]-	533.22933	237.1
[M+Na-2H]-	495.19015	214.8
[M]+	474.21493	211.7
[M]-	474.21603	211.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

475.22276

212.7

[M+Na]+

497.20470

211.8

[M-H]-

473.20820

219.3

[M+NH4]+

492.24930

217.4

[M+K]+

513.17864

209.4

[M+H-H2O]+

457.21274

202.6

[M+HCOO]-

519.21368

228.3

[M+CH3COO]-

533.22933

237.1

[M+Na-2H]-

495.19015

214.8

[M]+

474.21493

211.7

[M]-

474.21603

211.7

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

Boc-d-asn(trt)-oh

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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