CID 455485

1-(2-azidoethoxymethyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione

Structural Information

Molecular Formula
C11H15N5O3
SMILES
C1CCC2=C(C1)C(=O)NC(=O)N2COCCN=[N+]=[N-]
InChI
InChI=1S/C11H15N5O3/c12-15-13-5-6-19-7-16-9-4-2-1-3-8(9)10(17)14-11(16)18/h1-7H2,(H,14,17,18)
InChIKey
DXTBEZTTWIMCHN-UHFFFAOYSA-N
Compound name
1-(2-azidoethoxymethyl)-5,6,7,8-tetrahydroquinazoline-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.1175 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.12478 153.9
[M+Na]+ 288.10672 160.6
[M-H]- 264.11022 156.8
[M+NH4]+ 283.15132 168.1
[M+K]+ 304.08066 152.6
[M+H-H2O]+ 248.11476 149.5
[M+HCOO]- 310.11570 178.3
[M+CH3COO]- 324.13135 196.3
[M+Na-2H]- 286.09217 164.5
[M]+ 265.11695 151.3
[M]- 265.11805 151.3
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.