CID 168889

Oxifungin

Structural Information

Molecular Formula
C13H12N4O
SMILES
C1=CC=C(C=C1)OCC2=NC3=C(C=CN=C3)NN2
InChI
InChI=1S/C13H12N4O/c1-2-4-10(5-3-1)18-9-13-15-12-8-14-7-6-11(12)16-17-13/h1-8,16H,9H2,(H,15,17)
InChIKey
NSOWETRRDBSIFL-UHFFFAOYSA-N
Compound name
3-(phenoxymethyl)-1,2-dihydropyrido[3,4-e][1,2,4]triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

492
Patents

240.1011 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.10838 154.3
[M+Na]+ 263.09032 161.8
[M-H]- 239.09382 153.2
[M+NH4]+ 258.13492 165.3
[M+K]+ 279.06426 155.1
[M+H-H2O]+ 223.09836 143.9
[M+HCOO]- 285.09930 169.0
[M+CH3COO]- 299.11495 163.7
[M+Na-2H]- 261.07577 163.6
[M]+ 240.10055 150.3
[M]- 240.10165 150.3
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.