CID 452127

5'(h2po3ch2)azt

Structural Information

Molecular Formula
C11H16N5O6P
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@H](O2)CCP(=O)(O)O)N=[N+]=[N-]
InChI
InChI=1S/C11H16N5O6P/c1-6-5-16(11(18)13-10(6)17)9-4-7(14-15-12)8(22-9)2-3-23(19,20)21/h5,7-9H,2-4H2,1H3,(H,13,17,18)(H2,19,20,21)/t7-,8+,9+/m0/s1
InChIKey
BCFAOZSYFUNSAJ-DJLDLDEBSA-N
Compound name
2-[(2R,3S,5R)-3-azido-5-(5-methyl-2,4-dioxopyrimidin-1-yl)oxolan-2-yl]ethylphosphonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

345.08383 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.09111 171.5
[M+Na]+ 368.07305 177.4
[M-H]- 344.07655 174.9
[M+NH4]+ 363.11765 181.0
[M+K]+ 384.04699 170.9
[M+H-H2O]+ 328.08109 165.7
[M+HCOO]- 390.08203 198.2
[M+CH3COO]- 404.09768 205.0
[M+Na-2H]- 366.05850 177.5
[M]+ 345.08328 169.2
[M]- 345.08438 169.2
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