CID 453831

4'-azido-3'-o-methylthymidine

Structural Information

Molecular Formula
C11H15N5O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@](O2)(CO)N=[N+]=[N-])OC
InChI
InChI=1S/C11H15N5O5/c1-6-4-16(10(19)13-9(6)18)8-3-7(20-2)11(5-17,21-8)14-15-12/h4,7-8,17H,3,5H2,1-2H3,(H,13,18,19)/t7-,8+,11+/m0/s1
InChIKey
JJFPSTKXVFBFOY-VAOFZXAKSA-N
Compound name
1-[(2R,4S,5R)-5-azido-5-(hydroxymethyl)-4-methoxyoxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.10733 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.11461 160.4
[M+Na]+ 320.09655 168.7
[M-H]- 296.10005 166.3
[M+NH4]+ 315.14115 174.3
[M+K]+ 336.07049 162.3
[M+H-H2O]+ 280.10459 157.2
[M+HCOO]- 342.10553 185.0
[M+CH3COO]- 356.12118 198.3
[M+Na-2H]- 318.08200 169.0
[M]+ 297.10678 159.8
[M]- 297.10788 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

No patent data available for this compound.