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

literature stripe

Patent stripe

patents stripe