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 172.5
[M+Na]+ 355.11252 176.6
[M-H]- 331.11602 177.5
[M+NH4]+ 350.15712 182.2
[M+K]+ 371.08646 168.7
[M+H-H2O]+ 315.12056 166.7
[M+HCOO]- 377.12150 196.4
[M+CH3COO]- 391.13715 211.4
[M+Na-2H]- 353.09797 179.1
[M]+ 332.12275 167.7
[M]- 332.12385 167.7
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.