CID 9578744

Nsc701704

Structural Information

Molecular Formula
C22H40N6O4Si2
SMILES
CC(C)(C)[Si](C)(C)O[C@H]1[C@@H](O[C@@H]([C@H]1O[Si](C)(C)C(C)(C)C)N2C=NC3=C(N=CN=C32)N)/C=N/O
InChI
InChI=1S/C22H40N6O4Si2/c1-21(2,3)33(7,8)31-16-14(11-27-29)30-20(17(16)32-34(9,10)22(4,5)6)28-13-26-15-18(23)24-12-25-19(15)28/h11-14,16-17,20,29H,1-10H3,(H2,23,24,25)/b27-11+/t14-,16-,17-,20-/m0/s1
InChIKey
GKNVUNQAJSGRSD-VNBKMXEISA-N
Compound name
(NE)-N-[[(2S,3S,4S,5S)-5-(6-aminopurin-9-yl)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]oxolan-2-yl]methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

508.26495 Da
Monoisotopic Mass

None
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 509.27223 226.4
[M+Na]+ 531.25417 231.7
[M-H]- 507.25767 230.2
[M+NH4]+ 526.29877 232.1
[M+K]+ 547.22811 230.8
[M+H-H2O]+ 491.26221 219.0
[M+HCOO]- 553.26315 236.4
[M+CH3COO]- 567.27880 244.1
[M+Na-2H]- 529.23962 229.3
[M]+ 508.26440 232.2
[M]- 508.26550 232.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.