PubChemLite - Suc-azt (C14H17N5O7)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C14H17N5O7/c1-7-5-19(14(24)16-13(7)23)10-4-8(17-18-15)9(26-10)6-25-12(22)3-2-11(20)21/h5,8-10H,2-4,6H2,1H3,(H,20,21)(H,16,23,24)/t8-,9+,10+/m0/s1

InChIKey

XJDAUWWEZSQXKM-IVZWLZJFSA-N

Compound name

4-[[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methoxy]-4-oxobutanoic 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]+	368.12008	179.7
[M+Na]+	390.10202	185.1
[M-H]-	366.10552	185.0
[M+NH4]+	385.14662	188.1
[M+K]+	406.07596	178.9
[M+H-H2O]+	350.11006	175.0
[M+HCOO]-	412.11100	201.9
[M+CH3COO]-	426.12665	211.8
[M+Na-2H]-	388.08747	183.7
[M]+	367.11225	179.5
[M]-	367.11335	179.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

368.12008

179.7

[M+Na]+

390.10202

185.1

[M-H]-

366.10552

185.0

[M+NH4]+

385.14662

188.1

[M+K]+

406.07596

178.9

[M+H-H2O]+

350.11006

175.0

[M+HCOO]-

412.11100

201.9

[M+CH3COO]-

426.12665

211.8

[M+Na-2H]-

388.08747

183.7

[M]+

367.11225

179.5

[M]-

367.11335

179.5

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

Suc-azt

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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