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

literature stripe

Patent stripe

patents stripe