PubChemLite - (2r)-2-{[(tert-butoxy)carbonyl]amino}-3-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid (C23H26N2O6)

Structural Information

Molecular Formula

SMILES

CC(C)(C)OC(=O)N[C@H](CNC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)C(=O)O

InChI

InChI=1S/C23H26N2O6/c1-23(2,3)31-22(29)25-19(20(26)27)12-24-21(28)30-13-18-16-10-6-4-8-14(16)15-9-5-7-11-17(15)18/h4-11,18-19H,12-13H2,1-3H3,(H,24,28)(H,25,29)(H,26,27)/t19-/m1/s1

InChIKey

MVWPBNQGEGBGRF-LJQANCHMSA-N

Compound name

(2R)-3-(9H-fluoren-9-ylmethoxycarbonylamino)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoic 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]+	427.18636	200.6
[M+Na]+	449.16830	203.1
[M-H]-	425.17180	203.8
[M+NH4]+	444.21290	212.5
[M+K]+	465.14224	201.6
[M+H-H2O]+	409.17634	193.8
[M+HCOO]-	471.17728	217.2
[M+CH3COO]-	485.19293	229.4
[M+Na-2H]-	447.15375	202.0
[M]+	426.17853	204.3
[M]-	426.17963	204.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

427.18636

200.6

[M+Na]+

449.16830

203.1

[M-H]-

425.17180

203.8

[M+NH4]+

444.21290

212.5

[M+K]+

465.14224

201.6

[M+H-H2O]+

409.17634

193.8

[M+HCOO]-

471.17728

217.2

[M+CH3COO]-

485.19293

229.4

[M+Na-2H]-

447.15375

202.0

[M]+

426.17853

204.3

[M]-

426.17963

204.3

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

(2r)-2-{[(tert-butoxy)carbonyl]amino}-3-({[(9h-fluoren-9-yl)methoxy]carbonyl}amino)propanoic acid

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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