PubChemLite - Nsc660371 (C23H37N5O6)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C23H37N5O6/c1-17-15-28(23(31)25-22(17)30)20-14-18(26-27-24)19(34-20)16-33-21(29)12-10-8-6-4-3-5-7-9-11-13-32-2/h15,18-20H,3-14,16H2,1-2H3,(H,25,30,31)/t18-,19+,20+/m0/s1

InChIKey

ZYDMSOKLEOJQPS-XUVXKRRUSA-N

Compound name

[(2S,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]methyl 12-methoxydodecanoate

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]+	480.28166	219.5
[M+Na]+	502.26360	221.6
[M-H]-	478.26710	224.4
[M+NH4]+	497.30820	224.3
[M+K]+	518.23754	213.7
[M+H-H2O]+	462.27164	212.8
[M+HCOO]-	524.27258	240.7
[M+CH3COO]-	538.28823	238.6
[M+Na-2H]-	500.24905	220.1
[M]+	479.27383	224.0
[M]-	479.27493	224.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

480.28166

219.5

[M+Na]+

502.26360

221.6

[M-H]-

478.26710

224.4

[M+NH4]+

497.30820

224.3

[M+K]+

518.23754

213.7

[M+H-H2O]+

462.27164

212.8

[M+HCOO]-

524.27258

240.7

[M+CH3COO]-

538.28823

238.6

[M+Na-2H]-

500.24905

220.1

[M]+

479.27383

224.0

[M]-

479.27493

224.0

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

Nsc660371

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe