PubChemLite - 69304-45-6 (C22H39N5O5Si2)

Structural Information

Molecular Formula

SMILES

CC(C)[Si]1(OC[C@@H]2[C@H]([C@H]([C@@H](O2)N3C=NC4=C(N=CN=C43)N)O)O[Si](O1)(C(C)C)C(C)C)C(C)C

InChI

InChI=1S/C22H39N5O5Si2/c1-12(2)33(13(3)4)29-9-16-19(31-34(32-33,14(5)6)15(7)8)18(28)22(30-16)27-11-26-17-20(23)24-10-25-21(17)27/h10-16,18-19,22,28H,9H2,1-8H3,(H2,23,24,25)/t16-,18-,19-,22-/m1/s1

InChIKey

KHVLHRYSOPSVJR-WGQQHEPDSA-N

Compound name

(6aR,8R,9R,9aS)-8-(6-aminopurin-9-yl)-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-9-ol

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]+	510.25624	216.1
[M+Na]+	532.23818	220.1
[M-H]-	508.24168	218.0
[M+NH4]+	527.28278	218.4
[M+K]+	548.21212	221.1
[M+H-H2O]+	492.24622	211.1
[M+HCOO]-	554.24716	216.8
[M+CH3COO]-	568.26281	216.5
[M+Na-2H]-	530.22363	208.4
[M]+	509.24841	217.3
[M]-	509.24951	217.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

510.25624

216.1

[M+Na]+

532.23818

220.1

[M-H]-

508.24168

218.0

[M+NH4]+

527.28278

218.4

[M+K]+

548.21212

221.1

[M+H-H2O]+

492.24622

211.1

[M+HCOO]-

554.24716

216.8

[M+CH3COO]-

568.26281

216.5

[M+Na-2H]-

530.22363

208.4

[M]+

509.24841

217.3

[M]-

509.24951

217.3

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

69304-45-6

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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