PubChemLite - 2381842-52-8 (C23H24N2O6)

Structural Information

Molecular Formula

SMILES

C[C@H]([C@@H](C(=O)O)NC(=O)OCC1C2=CC=CC=C2C3=CC=CC=C13)NC(=O)OCC=C

InChI

InChI=1S/C23H24N2O6/c1-3-12-30-22(28)24-14(2)20(21(26)27)25-23(29)31-13-19-17-10-6-4-8-15(17)16-9-5-7-11-18(16)19/h3-11,14,19-20H,1,12-13H2,2H3,(H,24,28)(H,25,29)(H,26,27)/t14-,20+/m1/s1

InChIKey

IFXXIYKRKUGABN-VLIAUNLRSA-N

Compound name

(2S,3R)-2-(9H-fluoren-9-ylmethoxycarbonylamino)-3-(prop-2-enoxycarbonylamino)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]+	425.17070	199.8
[M+Na]+	447.15264	201.8
[M-H]-	423.15614	202.7
[M+NH4]+	442.19724	211.3
[M+K]+	463.12658	199.6
[M+H-H2O]+	407.16068	192.3
[M+HCOO]-	469.16162	217.2
[M+CH3COO]-	483.17727	229.9
[M+Na-2H]-	445.13809	198.6
[M]+	424.16287	202.6
[M]-	424.16397	202.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

425.17070

199.8

[M+Na]+

447.15264

201.8

[M-H]-

423.15614

202.7

[M+NH4]+

442.19724

211.3

[M+K]+

463.12658

199.6

[M+H-H2O]+

407.16068

192.3

[M+HCOO]-

469.16162

217.2

[M+CH3COO]-

483.17727

229.9

[M+Na-2H]-

445.13809

198.6

[M]+

424.16287

202.6

[M]-

424.16397

202.6

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

2381842-52-8

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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