PubChemLite - 201341-11-9 (C25H44N7O8P)

Structural Information

Molecular Formula

SMILES

CCCN(CCC)C(=O)OCOP(=O)(CO[C@H](C)CN1C=NC2=C(N=CN=C21)N)OCOC(=O)N(CCC)CCC

InChI

InChI=1S/C25H44N7O8P/c1-6-10-30(11-7-2)24(33)36-17-39-41(35,40-18-37-25(34)31(12-8-3)13-9-4)19-38-20(5)14-32-16-29-21-22(26)27-15-28-23(21)32/h15-16,20H,6-14,17-19H2,1-5H3,(H2,26,27,28)/t20-/m1/s1

InChIKey

XOLQVAPFWQNNMO-HXUWFJFHSA-N

Compound name

[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-(dipropylcarbamoyloxymethoxy)phosphoryl]oxymethyl N,N-dipropylcarbamate

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]+	602.30618	238.6
[M+Na]+	624.28812	237.4
[M-H]-	600.29162	238.4
[M+NH4]+	619.33272	251.4
[M+K]+	640.26206	240.6
[M+H-H2O]+	584.29616	224.8
[M+HCOO]-	646.29710	246.8
[M+CH3COO]-	660.31275	270.3
[M+Na-2H]-	622.27357	236.1
[M]+	601.29835	253.4
[M]-	601.29945	253.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

602.30618

238.6

[M+Na]+

624.28812

237.4

[M-H]-

600.29162

238.4

[M+NH4]+

619.33272

251.4

[M+K]+

640.26206

240.6

[M+H-H2O]+

584.29616

224.8

[M+HCOO]-

646.29710

246.8

[M+CH3COO]-

660.31275

270.3

[M+Na-2H]-

622.27357

236.1

[M]+

601.29835

253.4

[M]-

601.29945

253.4

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

201341-11-9

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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