PubChemLite - Bilanafos (C11H22N3O6P)

Structural Information

Molecular Formula

SMILES

C[C@@H](C(=O)N[C@@H](C)C(=O)O)NC(=O)[C@H](CCP(=O)(C)O)N

InChI

InChI=1S/C11H22N3O6P/c1-6(9(15)14-7(2)11(17)18)13-10(16)8(12)4-5-21(3,19)20/h6-8H,4-5,12H2,1-3H3,(H,13,16)(H,14,15)(H,17,18)(H,19,20)/t6-,7-,8-/m0/s1

InChIKey

GINJFDRNADDBIN-FXQIFTODSA-N

Compound name

(2S)-2-[[(2S)-2-[[(2S)-2-amino-4-[hydroxy(methyl)phosphoryl]butanoyl]amino]propanoyl]amino]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]+	324.13191	175.2
[M+Na]+	346.11385	176.0
[M-H]-	322.11735	184.6
[M+NH4]+	341.15845	180.4
[M+K]+	362.08779	177.5
[M+H-H2O]+	306.12189	166.8
[M+HCOO]-	368.12283	175.1
[M+CH3COO]-	382.13848	212.7
[M+Na-2H]-	344.09930	169.3
[M]+	323.12408	166.6
[M]-	323.12518	166.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

324.13191

175.2

[M+Na]+

346.11385

176.0

[M-H]-

322.11735

184.6

[M+NH4]+

341.15845

180.4

[M+K]+

362.08779

177.5

[M+H-H2O]+

306.12189

166.8

[M+HCOO]-

368.12283

175.1

[M+CH3COO]-

382.13848

212.7

[M+Na-2H]-

344.09930

169.3

[M]+

323.12408

166.6

[M]-

323.12518

166.6

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

Bilanafos

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe