CID 453628

.beta.-4'-azmet

Structural Information

Molecular Formula
C11H15N5O5
SMILES
CC1=CN(C(=O)NC1=O)[C@H]2C[C@@H]([C@@](O2)(CN=[N+]=[N-])CO)O
InChI
InChI=1S/C11H15N5O5/c1-6-3-16(10(20)14-9(6)19)8-2-7(18)11(5-17,21-8)4-13-15-12/h3,7-8,17-18H,2,4-5H2,1H3,(H,14,19,20)/t7-,8+,11+/m0/s1
InChIKey
LVLFDVNNAZFICW-VAOFZXAKSA-N
Compound name
1-[(2R,4S,5R)-5-(azidomethyl)-4-hydroxy-5-(hydroxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

20
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 160.6
[M+Na]+ 320.09655 168.4
[M-H]- 296.10005 165.1
[M+NH4]+ 315.14115 173.7
[M+K]+ 336.07049 161.1
[M+H-H2O]+ 280.10459 157.6
[M+HCOO]- 342.10553 183.7
[M+CH3COO]- 356.12118 195.9
[M+Na-2H]- 318.08200 168.7
[M]+ 297.10678 158.1
[M]- 297.10788 158.1
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