CID 5271067

Schembl8912036

Structural Information

Molecular Formula
C10H14N6O2S
SMILES
C1[C@@H]([C@H](S[C@@H]1N2C=NC3=C(N=C(N=C32)N)N)CO)O
InChI
InChI=1S/C10H14N6O2S/c11-8-7-9(15-10(12)14-8)16(3-13-7)6-1-4(18)5(2-17)19-6/h3-6,17-18H,1-2H2,(H4,11,12,14,15)/t4-,5+,6-/m0/s1
InChIKey
RBWMIMQVFIZKCN-JKUQZMGJSA-N
Compound name
(2R,3S,5S)-5-(2,6-diaminopurin-9-yl)-2-(hydroxymethyl)thiolan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

282.0899 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.09718 158.9
[M+Na]+ 305.07912 169.8
[M-H]- 281.08262 160.2
[M+NH4]+ 300.12372 173.3
[M+K]+ 321.05306 164.5
[M+H-H2O]+ 265.08716 152.2
[M+HCOO]- 327.08810 172.9
[M+CH3COO]- 341.10375 169.7
[M+Na-2H]- 303.06457 158.4
[M]+ 282.08935 158.7
[M]- 282.09045 158.7
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.