CID 464745

181507-39-1

Structural Information

Molecular Formula
C11H14N6O2S
SMILES
C1C(=O)N(C(S1)CO)CCN2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C11H14N6O2S/c12-10-9-11(14-5-13-10)16(6-15-9)1-2-17-7(19)4-20-8(17)3-18/h5-6,8,18H,1-4H2,(H2,12,13,14)
InChIKey
VWTANYGZAGGZFH-UHFFFAOYSA-N
Compound name
3-[2-(6-aminopurin-9-yl)ethyl]-2-(hydroxymethyl)-1,3-thiazolidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

294.0899 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.09718 164.2
[M+Na]+ 317.07912 175.6
[M-H]- 293.08262 165.5
[M+NH4]+ 312.12372 177.7
[M+K]+ 333.05306 170.5
[M+H-H2O]+ 277.08716 156.5
[M+HCOO]- 339.08810 178.0
[M+CH3COO]- 353.10375 175.0
[M+Na-2H]- 315.06457 163.7
[M]+ 294.08935 166.9
[M]- 294.09045 166.9
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.