PubChemLite - 2',3'-dideoxy-n4,5'-o-dipivaloylcytidine (C19H29N3O5)

Structural Information

Molecular Formula

SMILES

CC(C)(C)C(=O)NC1=NC(=O)N(C=C1)[C@H]2CC[C@H](O2)COC(=O)C(C)(C)C

InChI

InChI=1S/C19H29N3O5/c1-18(2,3)15(23)20-13-9-10-22(17(25)21-13)14-8-7-12(27-14)11-26-16(24)19(4,5)6/h9-10,12,14H,7-8,11H2,1-6H3,(H,20,21,23,25)/t12-,14+/m0/s1

InChIKey

DUFTUUWHFPLTAK-GXTWGEPZSA-N

Compound name

[(2S,5R)-5-[4-(2,2-dimethylpropanoylamino)-2-oxopyrimidin-1-yl]oxolan-2-yl]methyl 2,2-dimethylpropanoate

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]+	380.21800	190.5
[M+Na]+	402.19994	195.4
[M-H]-	378.20344	195.3
[M+NH4]+	397.24454	200.1
[M+K]+	418.17388	195.1
[M+H-H2O]+	362.20798	183.0
[M+HCOO]-	424.20892	205.1
[M+CH3COO]-	438.22457	219.8
[M+Na-2H]-	400.18539	191.4
[M]+	379.21017	193.9
[M]-	379.21127	193.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

380.21800

190.5

[M+Na]+

402.19994

195.4

[M-H]-

378.20344

195.3

[M+NH4]+

397.24454

200.1

[M+K]+

418.17388

195.1

[M+H-H2O]+

362.20798

183.0

[M+HCOO]-

424.20892

205.1

[M+CH3COO]-

438.22457

219.8

[M+Na-2H]-

400.18539

191.4

[M]+

379.21017

193.9

[M]-

379.21127

193.9

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

2',3'-dideoxy-n4,5'-o-dipivaloylcytidine

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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