N-alpha-(9-fluorenylmethyloxycarbonyl)-n-alpha-methyl-o-t-butyl-l-threonine (C24H29NO5)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C24H29NO5/c1-15(30-24(2,3)4)21(22(26)27)25(5)23(28)29-14-20-18-12-8-6-10-16(18)17-11-7-9-13-19(17)20/h6-13,15,20-21H,14H2,1-5H3,(H,26,27)/t15-,21+/m1/s1

InChIKey

VIUVLZHFMIFLHU-VFNWGFHPSA-N

Compound name

(2S,3R)-2-[9H-fluoren-9-ylmethoxycarbonyl(methyl)amino]-3-[(2-methylpropan-2-yl)oxy]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]+	412.211836	201.2
[M+Na]+	434.193778	204.2
[M-H]-	410.197284	205.7
[M+NH4]+	429.238383	214.8
[M+K]+	450.167718	203.3
[M+H-H2O]+	394.201820	194.6
[M+HCOO]-	456.202761	216.6
[M+CH3COO]-	470.218411	229.9
[M+Na-2H]-	432.179226	200.1
[M]+	411.20401142	206.6
[M]-	411.20510858	206.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

412.211836

201.2

[M+Na]+

434.193778

204.2

[M-H]-

410.197284

205.7

[M+NH4]+

429.238383

214.8

[M+K]+

450.167718

203.3

[M+H-H2O]+

394.201820

194.6

[M+HCOO]-

456.202761

216.6

[M+CH3COO]-

470.218411

229.9

[M+Na-2H]-

432.179226

200.1

[M]+

411.20401142

206.6

[M]-

411.20510858

206.6

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

N-alpha-(9-fluorenylmethyloxycarbonyl)-n-alpha-methyl-o-t-butyl-l-threonine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe