CID 65311

5'-amino-5'-deoxythymidine

Structural Information

Molecular Formula
C10H15N3O4
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CN)O
InChI
InChI=1S/C10H15N3O4/c1-5-4-13(10(16)12-9(5)15)8-2-6(14)7(3-11)17-8/h4,6-8,14H,2-3,11H2,1H3,(H,12,15,16)/t6-,7+,8+/m0/s1
InChIKey
PYWLBQPICCQJFF-XLPZGREQSA-N
Compound name
1-[(2R,4S,5R)-5-(aminomethyl)-4-hydroxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

39
References

716
Patents

241.10626 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11354 152.3
[M+Na]+ 264.09548 161.6
[M-H]- 240.09898 155.0
[M+NH4]+ 259.14008 166.3
[M+K]+ 280.06942 158.6
[M+H-H2O]+ 224.10352 145.1
[M+HCOO]- 286.10446 170.8
[M+CH3COO]- 300.12011 188.9
[M+Na-2H]- 262.08093 153.5
[M]+ 241.10571 150.5
[M]- 241.10681 150.5
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