PubChemLite - 263847-08-1 (C20H18N4O4)

Structural Information

Molecular Formula

SMILES

C1[C@@H](CN([C@@H]1C(=O)O)C(=O)OCC2C3=CC=CC=C3C4=CC=CC=C24)N=[N+]=[N-]

InChI

InChI=1S/C20H18N4O4/c21-23-22-12-9-18(19(25)26)24(10-12)20(27)28-11-17-15-7-3-1-5-13(15)14-6-2-4-8-16(14)17/h1-8,12,17-18H,9-11H2,(H,25,26)/t12-,18-/m0/s1

InChIKey

HOPXMBBEYJTPNX-SGTLLEGYSA-N

Compound name

(2S,4S)-4-azido-1-(9H-fluoren-9-ylmethoxycarbonyl)pyrrolidine-2-carboxylic 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]+	379.14008	185.9
[M+Na]+	401.12202	189.9
[M-H]-	377.12552	194.2
[M+NH4]+	396.16662	200.5
[M+K]+	417.09596	181.6
[M+H-H2O]+	361.13006	181.8
[M+HCOO]-	423.13100	209.0
[M+CH3COO]-	437.14665	217.5
[M+Na-2H]-	399.10747	189.7
[M]+	378.13225	183.8
[M]-	378.13335	183.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

379.14008

185.9

[M+Na]+

401.12202

189.9

[M-H]-

377.12552

194.2

[M+NH4]+

396.16662

200.5

[M+K]+

417.09596

181.6

[M+H-H2O]+

361.13006

181.8

[M+HCOO]-

423.13100

209.0

[M+CH3COO]-

437.14665

217.5

[M+Na-2H]-

399.10747

189.7

[M]+

378.13225

183.8

[M]-

378.13335

183.8

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

263847-08-1

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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