PubChemLite - 160056-49-5 (C22H40N6O4Si2)

Structural Information

Molecular Formula

SMILES

CC(C)[Si]1(OCC2C(C(C(O2)N3C=NC4=C(N=CN=C43)N)N)O[Si](O1)(C(C)C)C(C)C)C(C)C

InChI

InChI=1S/C22H40N6O4Si2/c1-12(2)33(13(3)4)29-9-16-19(31-34(32-33,14(5)6)15(7)8)17(23)22(30-16)28-11-27-18-20(24)25-10-26-21(18)28/h10-17,19,22H,9,23H2,1-8H3,(H2,24,25,26)

InChIKey

DSZXWOYSCQODMD-UHFFFAOYSA-N

Compound name

9-[9-amino-2,2,4,4-tetra(propan-2-yl)-6a,8,9,9a-tetrahydro-6H-furo[3,2-f][1,3,5,2,4]trioxadisilocin-8-yl]purin-6-amine

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]+	509.27223	217.1
[M+Na]+	531.25417	221.1
[M-H]-	507.25767	219.4
[M+NH4]+	526.29877	219.5
[M+K]+	547.22811	221.9
[M+H-H2O]+	491.26221	211.9
[M+HCOO]-	553.26315	218.5
[M+CH3COO]-	567.27880	217.5
[M+Na-2H]-	529.23962	209.4
[M]+	508.26440	217.8
[M]-	508.26550	217.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

509.27223

217.1

[M+Na]+

531.25417

221.1

[M-H]-

507.25767

219.4

[M+NH4]+

526.29877

219.5

[M+K]+

547.22811

221.9

[M+H-H2O]+

491.26221

211.9

[M+HCOO]-

553.26315

218.5

[M+CH3COO]-

567.27880

217.5

[M+Na-2H]-

529.23962

209.4

[M]+

508.26440

217.8

[M]-

508.26550

217.8

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

160056-49-5

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe