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

literature stripe

Patent stripe

patents stripe