CID 5789

Thymidine

Structural Information

Molecular Formula
C10H14N2O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O
InChI
InChI=1S/C10H14N2O5/c1-5-3-12(10(16)11-9(5)15)8-2-6(14)7(4-13)17-8/h3,6-8,13-14H,2,4H2,1H3,(H,11,15,16)/t6-,7+,8+/m0/s1
InChIKey
IQFYYKKMVGJFEH-XLPZGREQSA-N
Compound name
1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

44165
References

43615
Patents

242.09027 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.097546 150.4
[M+Na]+ 265.079488 160.0
[M-H]- 241.082994 152.2
[M+NH4]+ 260.124093 164.1
[M+K]+ 281.053428 157.2
[M+H-H2O]+ 225.087530 143.8
[M+HCOO]- 287.088471 167.2
[M+CH3COO]- 301.104121 184.1
[M+Na-2H]- 263.064936 151.9
[M]+ 242.08972142 149.9
[M]- 242.09081858 149.9
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

patents stripe