PubChemLite - Gluazt (C15H20N6O7)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C15H20N6O7/c1-7-5-21(15(26)18-13(7)24)11-4-9(19-20-17)10(28-11)6-27-14(25)8(16)2-3-12(22)23/h5,8-11H,2-4,6,16H2,1H3,(H,22,23)(H,18,24,26)/t8-,9-,10+,11+/m0/s1

InChIKey

RDUNYDIEPCWJHF-UKKRHICBSA-N

Compound name

(4S)-4-amino-5-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]-5-oxopentanoic 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]+	397.14662	187.0
[M+Na]+	419.12856	190.6
[M-H]-	395.13206	191.7
[M+NH4]+	414.17316	193.4
[M+K]+	435.10250	184.7
[M+H-H2O]+	379.13660	181.8
[M+HCOO]-	441.13754	208.2
[M+CH3COO]-	455.15319	220.5
[M+Na-2H]-	417.11401	189.2
[M]+	396.13879	184.7
[M]-	396.13989	184.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

397.14662

187.0

[M+Na]+

419.12856

190.6

[M-H]-

395.13206

191.7

[M+NH4]+

414.17316

193.4

[M+K]+

435.10250

184.7

[M+H-H2O]+

379.13660

181.8

[M+HCOO]-

441.13754

208.2

[M+CH3COO]-

455.15319

220.5

[M+Na-2H]-

417.11401

189.2

[M]+

396.13879

184.7

[M]-

396.13989

184.7

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

Gluazt

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe