CID 3035041

Thymidine glycol

Structural Information

Molecular Formula
C10H16N2O7
SMILES
CC1(C(N(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)O)O)O
InChI
InChI=1S/C10H16N2O7/c1-10(18)7(15)11-9(17)12(8(10)16)6-2-4(14)5(3-13)19-6/h4-6,8,13-14,16,18H,2-3H2,1H3,(H,11,15,17)/t4-,5+,6+,8?,10?/m0/s1
InChIKey
RKEITGVZZHXKON-SKAWGCAZSA-N
Compound name
5,6-dihydroxy-1-[(2R,4S,5R)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methyl-1,3-diazinane-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

42
References

343
Patents

276.09576 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 277.10304 160.3
[M+Na]+ 299.08498 166.4
[M+NH4]+ 294.12958 164.1
[M+K]+ 315.05892 166.6
[M-H]- 275.08848 157.8
[M+Na-2H]- 297.07043 159.1
[M]+ 276.09521 159.8
[M]- 276.09631 159.8
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