CID 24847208

Brn 4516703

Structural Information

Molecular Formula
C17H15N3O2
SMILES
CCOC1=CC=C(C=C1)C2=NN=C3N2C4=CC=CC=C4OC3
InChI
InChI=1S/C17H15N3O2/c1-2-21-13-9-7-12(8-10-13)17-19-18-16-11-22-15-6-4-3-5-14(15)20(16)17/h3-10H,2,11H2,1H3
InChIKey
LVLDZNPQACNEBU-UHFFFAOYSA-N
Compound name
1-(4-ethoxyphenyl)-4H-[1,2,4]triazolo[3,4-c][1,4]benzoxazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.11642 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.12370 167.4
[M+Na]+ 316.10564 177.0
[M-H]- 292.10914 172.6
[M+NH4]+ 311.15024 181.0
[M+K]+ 332.07958 172.8
[M+H-H2O]+ 276.11368 157.1
[M+HCOO]- 338.11462 184.9
[M+CH3COO]- 352.13027 178.7
[M+Na-2H]- 314.09109 173.7
[M]+ 293.11587 170.2
[M]- 293.11697 170.2
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.