PubChemLite - 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]+	409.22930	182.8
[M+Na]+	431.21124	188.9
[M-H]-	407.21474	194.2
[M+NH4]+	426.25584	181.6
[M+K]+	447.18518	183.5
[M+H-H2O]+	391.21928	171.0
[M+HCOO]-	453.22022	186.5
[M+CH3COO]-	467.23587	225.3
[M+Na-2H]-	429.19669	173.5
[M]+	408.22147	176.7
[M]-	408.22257	176.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

409.22930

182.8

[M+Na]+

431.21124

188.9

[M-H]-

407.21474

194.2

[M+NH4]+

426.25584

181.6

[M+K]+

447.18518

183.5

[M+H-H2O]+

391.21928

171.0

[M+HCOO]-

453.22022

186.5

[M+CH3COO]-

467.23587

225.3

[M+Na-2H]-

429.19669

173.5

[M]+

408.22147

176.7

[M]-

408.22257

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