PubChemLite - 3'-azido-2',3'-dideoxy-5-[[[3-(methoxycarbonyl)propyl]-amino]-3-oxopropyl]uridine (C17H24N6O7)

Structural Information

Molecular Formula

SMILES

COC(=O)CCCNC(=O)CCC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)N=[N+]=[N-]

InChI

InChI=1S/C17H24N6O7/c1-29-15(26)3-2-6-19-13(25)5-4-10-8-23(17(28)20-16(10)27)14-7-11(21-22-18)12(9-24)30-14/h8,11-12,14,24H,2-7,9H2,1H3,(H,19,25)(H,20,27,28)/t11-,12+,14+/m0/s1

InChIKey

YFHYVULTUZUOSN-OUCADQQQSA-N

Compound name

methyl 4-[3-[1-[(2R,4S,5S)-4-azido-5-(hydroxymethyl)oxolan-2-yl]-2,4-dioxopyrimidin-5-yl]propanoylamino]butanoate

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]+	425.17793	195.8
[M+Na]+	447.15987	198.8
[M-H]-	423.16337	200.6
[M+NH4]+	442.20447	201.5
[M+K]+	463.13381	192.2
[M+H-H2O]+	407.16791	190.1
[M+HCOO]-	469.16885	217.9
[M+CH3COO]-	483.18450	225.5
[M+Na-2H]-	445.14532	199.2
[M]+	424.17010	195.7
[M]-	424.17120	195.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

425.17793

195.8

[M+Na]+

447.15987

198.8

[M-H]-

423.16337

200.6

[M+NH4]+

442.20447

201.5

[M+K]+

463.13381

192.2

[M+H-H2O]+

407.16791

190.1

[M+HCOO]-

469.16885

217.9

[M+CH3COO]-

483.18450

225.5

[M+Na-2H]-

445.14532

199.2

[M]+

424.17010

195.7

[M]-

424.17120

195.7

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

3'-azido-2',3'-dideoxy-5-[[[3-(methoxycarbonyl)propyl]-amino]-3-oxopropyl]uridine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe