CID 488273

Chembl44721

Structural Information

Molecular Formula
C16H19N5O3
SMILES
CCC1=C(N(C(=O)NC1=O)COCC)CC2=CC(=CC=C2)N=[N+]=[N-]
InChI
InChI=1S/C16H19N5O3/c1-3-13-14(9-11-6-5-7-12(8-11)19-20-17)21(10-24-4-2)16(23)18-15(13)22/h5-8H,3-4,9-10H2,1-2H3,(H,18,22,23)
InChIKey
ZKXMNVIXUJOOBR-UHFFFAOYSA-N
Compound name
6-[(3-azidophenyl)methyl]-1-(ethoxymethyl)-5-ethylpyrimidine-2,4-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

329.1488 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.15608 176.4
[M+Na]+ 352.13802 184.6
[M-H]- 328.14152 182.5
[M+NH4]+ 347.18262 187.4
[M+K]+ 368.11196 174.9
[M+H-H2O]+ 312.14606 170.5
[M+HCOO]- 374.14700 203.4
[M+CH3COO]- 388.16265 211.2
[M+Na-2H]- 350.12347 184.0
[M]+ 329.14825 177.6
[M]- 329.14935 177.6
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.