CID 453458

Azido-acyclo-5-ph-6-aza-u

Structural Information

Molecular Formula
C13H14N6O4
SMILES
C1=CC=C(C=C1)C2=NN(C(=O)NC2=O)CO[C@@H](CN=[N+]=[N-])CO
InChI
InChI=1S/C13H14N6O4/c14-18-15-6-10(7-20)23-8-19-13(22)16-12(21)11(17-19)9-4-2-1-3-5-9/h1-5,10,20H,6-8H2,(H,16,21,22)/t10-/m0/s1
InChIKey
JOJMLCZUAVMBST-JTQLQIEISA-N
Compound name
2-[[(2S)-1-azido-3-hydroxypropan-2-yl]oxymethyl]-6-phenyl-1,2,4-triazine-3,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.10767 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.11495 167.5
[M+Na]+ 341.09689 174.1
[M-H]- 317.10039 170.8
[M+NH4]+ 336.14149 176.0
[M+K]+ 357.07083 165.1
[M+H-H2O]+ 301.10493 161.2
[M+HCOO]- 363.10587 192.0
[M+CH3COO]- 377.12152 203.0
[M+Na-2H]- 339.08234 177.3
[M]+ 318.10712 166.1
[M]- 318.10822 166.1
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.