PubChemLite - Pdf-709 (C20H30N4O4)

Structural Information

Molecular Formula

SMILES

CCCC[C@H](CN(C=O)O)C(=O)N1CCCC1C(=O)NC2=NC=CC(=C2)CC

InChI

InChI=1S/C20H30N4O4/c1-3-5-7-16(13-23(28)14-25)20(27)24-11-6-8-17(24)19(26)22-18-12-15(4-2)9-10-21-18/h9-10,12,14,16-17,28H,3-8,11,13H2,1-2H3,(H,21,22,26)/t16-,17?/m1/s1

InChIKey

MZHFJNUVTFIFDX-TZHYSIJRSA-N

Compound name

N-(4-ethylpyridin-2-yl)-1-[(2R)-2-[[formyl(hydroxy)amino]methyl]hexanoyl]pyrrolidine-2-carboxamide

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]+	391.23398	195.4
[M+Na]+	413.21592	196.5
[M-H]-	389.21942	198.3
[M+NH4]+	408.26052	204.6
[M+K]+	429.18986	194.6
[M+H-H2O]+	373.22396	185.5
[M+HCOO]-	435.22490	212.6
[M+CH3COO]-	449.24055	226.4
[M+Na-2H]-	411.20137	191.5
[M]+	390.22615	195.9
[M]-	390.22725	195.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

391.23398

195.4

[M+Na]+

413.21592

196.5

[M-H]-

389.21942

198.3

[M+NH4]+

408.26052

204.6

[M+K]+

429.18986

194.6

[M+H-H2O]+

373.22396

185.5

[M+HCOO]-

435.22490

212.6

[M+CH3COO]-

449.24055

226.4

[M+Na-2H]-

411.20137

191.5

[M]+

390.22615

195.9

[M]-

390.22725

195.9

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

Pdf-709

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe