PubChemLite - Lysazt (C16H25N7O5)

Structural Information

Molecular Formula

SMILES

CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)COC(=O)[C@H](CCCCN)N)N=[N+]=[N-]

InChI

InChI=1S/C16H25N7O5/c1-9-7-23(16(26)20-14(9)24)13-6-11(21-22-19)12(28-13)8-27-15(25)10(18)4-2-3-5-17/h7,10-13H,2-6,8,17-18H2,1H3,(H,20,24,26)/t10-,11-,12+,13+/m0/s1

InChIKey

QXRBUCZLBYMSHO-WUHRBBMRSA-N

Compound name

[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl (2S)-2,6-diaminohexanoate

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]+	396.19898	191.0
[M+Na]+	418.18092	194.2
[M-H]-	394.18442	196.3
[M+NH4]+	413.22552	198.0
[M+K]+	434.15486	187.4
[M+H-H2O]+	378.18896	185.0
[M+HCOO]-	440.18990	214.2
[M+CH3COO]-	454.20555	225.9
[M+Na-2H]-	416.16637	193.2
[M]+	395.19115	187.8
[M]-	395.19225	187.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

396.19898

191.0

[M+Na]+

418.18092

194.2

[M-H]-

394.18442

196.3

[M+NH4]+

413.22552

198.0

[M+K]+

434.15486

187.4

[M+H-H2O]+

378.18896

185.0

[M+HCOO]-

440.18990

214.2

[M+CH3COO]-

454.20555

225.9

[M+Na-2H]-

416.16637

193.2

[M]+

395.19115

187.8

[M]-

395.19225

187.8

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

Lysazt

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe