CID 455484

1-(2-azidoethoxymethyl)-6,7-dihydro-5h-cyclopenta[d]pyrimidine-2,4-dione

Structural Information

Molecular Formula
C10H13N5O3
SMILES
C1CC2=C(C1)N(C(=O)NC2=O)COCCN=[N+]=[N-]
InChI
InChI=1S/C10H13N5O3/c11-14-12-4-5-18-6-15-8-3-1-2-7(8)9(16)13-10(15)17/h1-6H2,(H,13,16,17)
InChIKey
CIWHWHBXWOIKSI-UHFFFAOYSA-N
Compound name
1-(2-azidoethoxymethyl)-6,7-dihydro-5H-cyclopenta[d]pyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.10184 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.10912 149.9
[M+Na]+ 274.09106 157.8
[M-H]- 250.09456 153.4
[M+NH4]+ 269.13566 166.6
[M+K]+ 290.06500 150.1
[M+H-H2O]+ 234.09910 146.1
[M+HCOO]- 296.10004 176.9
[M+CH3COO]- 310.11569 192.7
[M+Na-2H]- 272.07651 159.7
[M]+ 251.10129 149.0
[M]- 251.10239 149.0
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.