PubChemLite - Hs-10234 (C22H31N6O5P)

Structural Information

Molecular Formula

SMILES

C[C@H](CN1C=NC2=C(N=CN=C21)N)OC[P@@](=O)(NC(C)(C)C(=O)OC(C)C)OC3=CC=CC=C3

InChI

InChI=1S/C22H31N6O5P/c1-15(2)32-21(29)22(4,5)27-34(30,33-17-9-7-6-8-10-17)14-31-16(3)11-28-13-26-18-19(23)24-12-25-20(18)28/h6-10,12-13,15-16H,11,14H2,1-5H3,(H,27,30)(H2,23,24,25)/t16-,34+/m1/s1

InChIKey

ORHSFGJQGPUCRR-RZCFMFBHSA-N

Compound name

propan-2-yl 2-[[[(2R)-1-(6-aminopurin-9-yl)propan-2-yl]oxymethyl-phenoxyphosphoryl]amino]-2-methylpropanoate

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]+	491.21663	216.3
[M+Na]+	513.19857	218.8
[M-H]-	489.20207	217.5
[M+NH4]+	508.24317	219.6
[M+K]+	529.17251	217.8
[M+H-H2O]+	473.20661	203.3
[M+HCOO]-	535.20755	235.5
[M+CH3COO]-	549.22320	244.0
[M+Na-2H]-	511.18402	217.2
[M]+	490.20880	222.0
[M]-	490.20990	222.0

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

491.21663

216.3

[M+Na]+

513.19857

218.8

[M-H]-

489.20207

217.5

[M+NH4]+

508.24317

219.6

[M+K]+

529.17251

217.8

[M+H-H2O]+

473.20661

203.3

[M+HCOO]-

535.20755

235.5

[M+CH3COO]-

549.22320

244.0

[M+Na-2H]-

511.18402

217.2

[M]+

490.20880

222.0

[M]-

490.20990

222.0

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

Hs-10234

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe