CID 165808075

N-(2-azidoethyl)-4-(2,4-dioxo-1,3-diazinan-1-yl)-3-methoxybenzamide

Structural Information

Molecular Formula
C14H16N6O4
SMILES
COC1=C(C=CC(=C1)C(=O)NCCN=[N+]=[N-])N2CCC(=O)NC2=O
InChI
InChI=1S/C14H16N6O4/c1-24-11-8-9(13(22)16-5-6-17-19-15)2-3-10(11)20-7-4-12(21)18-14(20)23/h2-3,8H,4-7H2,1H3,(H,16,22)(H,18,21,23)
InChIKey
GKGSOOWZHDWRDK-UHFFFAOYSA-N
Compound name
N-(2-azidoethyl)-4-(2,4-dioxo-1,3-diazinan-1-yl)-3-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

332.1233 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 333.13058 172.4
[M+Na]+ 355.11252 181.8
[M+NH4]+ 350.15712 176.4
[M+K]+ 371.08646 179.4
[M-H]- 331.11602 176.0
[M+Na-2H]- 353.09797 176.8
[M]+ 332.12275 173.9
[M]- 332.12385 173.9
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.