CID 451858

Thymidine, 3',5'-diamino-3',5'-dideoxy-

Structural Information

Molecular Formula
C10H16N4O3
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN)N
InChI
InChI=1S/C10H16N4O3/c1-5-4-14(10(16)13-9(5)15)8-2-6(12)7(3-11)17-8/h4,6-8H,2-3,11-12H2,1H3,(H,13,15,16)/t6-,7+,8+/m0/s1
InChIKey
MNQDARLYRXOMEL-XLPZGREQSA-N
Compound name
1-[(2R,4S,5R)-4-amino-5-(aminomethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

1
Patents

240.12224 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.12952 153.8
[M+Na]+ 263.11146 162.9
[M-H]- 239.11496 157.4
[M+NH4]+ 258.15606 168.0
[M+K]+ 279.08540 159.7
[M+H-H2O]+ 223.11950 146.1
[M+HCOO]- 285.12044 174.0
[M+CH3COO]- 299.13609 193.7
[M+Na-2H]- 261.09691 154.9
[M]+ 240.12169 150.7
[M]- 240.12279 150.7
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.