CID 452714

2-hoch2-4-a-tetrahthiophene

Structural Information

Molecular Formula
C10H13N5OS
SMILES
C1[C@H](CS[C@H]1CO)N2C=NC3=C(N=CN=C32)N
InChI
InChI=1S/C10H13N5OS/c11-9-8-10(13-4-12-9)15(5-14-8)6-1-7(2-16)17-3-6/h4-7,16H,1-3H2,(H2,11,12,13)/t6-,7-/m1/s1
InChIKey
JMKUQWUCPRVDDR-RNFRBKRXSA-N
Compound name
[(2R,4R)-4-(6-aminopurin-9-yl)thiolan-2-yl]methanol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.08408 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.09136 152.4
[M+Na]+ 274.07330 163.4
[M-H]- 250.07680 154.7
[M+NH4]+ 269.11790 168.9
[M+K]+ 290.04724 158.8
[M+H-H2O]+ 234.08134 145.1
[M+HCOO]- 296.08228 167.5
[M+CH3COO]- 310.09793 164.2
[M+Na-2H]- 272.05875 153.1
[M]+ 251.08353 153.3
[M]- 251.08463 153.3
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.