104222-32-4 (C16H32N4O8)

Structural Information

Molecular Formula

SMILES

CC(C)(C(=O)NC(CO)(CO)CO)N=NC(C)(C)C(=O)NC(CO)(CO)CO

InChI

InChI=1S/C16H32N4O8/c1-13(2,11(27)17-15(5-21,6-22)7-23)19-20-14(3,4)12(28)18-16(8-24,9-25)10-26/h21-26H,5-10H2,1-4H3,(H,17,27)(H,18,28)

InChIKey

BUGISVZCMXHOHO-UHFFFAOYSA-N

Compound name

N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]-2-[[1-[[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]amino]-2-methyl-1-oxopropan-2-yl]diazenyl]-2-methylpropanamide

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]+	409.229296	182.8
[M+Na]+	431.211238	188.9
[M-H]-	407.214744	194.2
[M+NH4]+	426.255843	181.6
[M+K]+	447.185178	183.5
[M+H-H2O]+	391.219280	171.0
[M+HCOO]-	453.220221	186.5
[M+CH3COO]-	467.235871	225.3
[M+Na-2H]-	429.196686	173.5
[M]+	408.22147142	176.7
[M]-	408.22256858	176.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

409.229296

182.8

[M+Na]+

431.211238

188.9

[M-H]-

407.214744

194.2

[M+NH4]+

426.255843

181.6

[M+K]+

447.185178

183.5

[M+H-H2O]+

391.219280

171.0

[M+HCOO]-

453.220221

186.5

[M+CH3COO]-

467.235871

225.3

[M+Na-2H]-

429.196686

173.5

[M]+

408.22147142

176.7

[M]-

408.22256858

176.7

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

104222-32-4

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe