PubChemLite - Iazt (C16H24N6O5)

Structural Information

Molecular Formula

SMILES

CC[C@H](C)[C@@H](C(=O)OC[C@@H]1[C@H](C[C@@H](O1)N2C=C(C(=O)NC2=O)C)N=[N+]=[N-])N

InChI

InChI=1S/C16H24N6O5/c1-4-8(2)13(17)15(24)26-7-11-10(20-21-18)5-12(27-11)22-6-9(3)14(23)19-16(22)25/h6,8,10-13H,4-5,7,17H2,1-3H3,(H,19,23,25)/t8-,10-,11+,12+,13-/m0/s1

InChIKey

QUANSGVUESEHKX-FXAPSIEYSA-N

Compound name

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

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]+	381.18810	189.1
[M+Na]+	403.17004	193.2
[M-H]-	379.17354	195.0
[M+NH4]+	398.21464	197.3
[M+K]+	419.14398	187.0
[M+H-H2O]+	363.17808	183.9
[M+HCOO]-	425.17902	211.1
[M+CH3COO]-	439.19467	221.8
[M+Na-2H]-	401.15549	190.4
[M]+	380.18027	187.1
[M]-	380.18137	187.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

381.18810

189.1

[M+Na]+

403.17004

193.2

[M-H]-

379.17354

195.0

[M+NH4]+

398.21464

197.3

[M+K]+

419.14398

187.0

[M+H-H2O]+

363.17808

183.9

[M+HCOO]-

425.17902

211.1

[M+CH3COO]-

439.19467

221.8

[M+Na-2H]-

401.15549

190.4

[M]+

380.18027

187.1

[M]-

380.18137

187.1

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

Iazt

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe