CID 22333258

Brn 4512258

Structural Information

Molecular Formula
C16H13N3O2
SMILES
COC1=CC=C(C=C1)C2=NN=C3N2C4=CC=CC=C4OC3
InChI
InChI=1S/C16H13N3O2/c1-20-12-8-6-11(7-9-12)16-18-17-15-10-21-14-5-3-2-4-13(14)19(15)16/h2-9H,10H2,1H3
InChIKey
HBWIBJRNJVOQPF-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-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

279.10077 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.10805 163.2
[M+Na]+ 302.08999 179.8
[M+NH4]+ 297.13459 172.0
[M+K]+ 318.06393 173.7
[M-H]- 278.09349 168.5
[M+Na-2H]- 300.07544 170.8
[M]+ 279.10022 167.3
[M]- 279.10132 167.3
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.