CID 452132

3'-deoxy-3'-formamido thymidine

Structural Information

Molecular Formula
C11H15N3O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CO)NC=O
InChI
InChI=1S/C11H15N3O5/c1-6-3-14(11(18)13-10(6)17)9-2-7(12-5-16)8(4-15)19-9/h3,5,7-9,15H,2,4H2,1H3,(H,12,16)(H,13,17,18)/t7-,8+,9+/m0/s1
InChIKey
KYWJLEBKGOENJD-DJLDLDEBSA-N
Compound name
N-[(2S,3S,5R)-2-(hydroxymethyl)-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-3-yl]formamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

269.10117 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.10845 157.3
[M+Na]+ 292.09039 166.2
[M-H]- 268.09389 160.3
[M+NH4]+ 287.13499 170.2
[M+K]+ 308.06433 163.4
[M+H-H2O]+ 252.09843 149.8
[M+HCOO]- 314.09937 176.4
[M+CH3COO]- 328.11502 194.0
[M+Na-2H]- 290.07584 159.3
[M]+ 269.10062 157.5
[M]- 269.10172 157.5
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.