CID 459907

Chembl2112848

Structural Information

Molecular Formula
C11H15N5O3
SMILES
CC1=CN(C(=O)NC1=O)[C@@H]2C[C@@H]([C@H](C2)N=[N+]=[N-])CO
InChI
InChI=1S/C11H15N5O3/c1-6-4-16(11(19)13-10(6)18)8-2-7(5-17)9(3-8)14-15-12/h4,7-9,17H,2-3,5H2,1H3,(H,13,18,19)/t7-,8-,9+/m1/s1
InChIKey
YOJSVMKUJLZMNI-HLTSFMKQSA-N
Compound name
1-[(1R,3S,4S)-3-azido-4-(hydroxymethyl)cyclopentyl]-5-methylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

265.1175 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12478 156.4
[M+Na]+ 288.10672 164.2
[M-H]- 264.11022 161.4
[M+NH4]+ 283.15132 171.1
[M+K]+ 304.08066 155.5
[M+H-H2O]+ 248.11476 152.5
[M+HCOO]- 310.11570 181.7
[M+CH3COO]- 324.13135 194.0
[M+Na-2H]- 286.09217 162.2
[M]+ 265.11695 152.0
[M]- 265.11805 152.0
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.